60201117
  -OEChem-04272400142D

 38 40  0     1  0  0  0  0  0999 V2000
    3.4030   -4.3632    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8298    0.0551    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3735    1.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1825   -0.2699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3632    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8517    0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3517    1.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    1.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8462    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2529   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4340    1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2474   -0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4285    1.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    2.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8352    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0462    3.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6038    1.9056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    2.0327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3018    1.2747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8885   -1.0465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1818    1.7441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4996   -1.2158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929    1.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751    4.3632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 22  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  0  0  0  0
 16 21  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  3  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60201117

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
450

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIACAAADB7hnyY9kJcMEgDgGzZnZASCgC0xF6AJ2CA4fpiKfqLBmxGUcAhswAPY2CeQwKAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-chlorophenyl)-[4-(4-chlorophenyl)-1-prop-2-ynyl-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(4-chlorophenyl)-[4-(4-chlorophenyl)-1-prop-2-ynyl-2-imidazolyl]methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-chlorophenyl)-[4-(4-chlorophenyl)-1-prop-2-ynylimidazol-2-yl]methanol

> <PUBCHEM_IUPAC_NAME>
(4-chlorophenyl)-[4-(4-chlorophenyl)-1-prop-2-ynylimidazol-2-yl]methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-chlorophenyl)-[4-(4-chlorophenyl)-1-prop-2-ynyl-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-chlorophenyl)-[4-(4-chlorophenyl)-1-propargyl-imidazol-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14Cl2N2O/c1-2-11-23-12-17(13-3-7-15(20)8-4-13)22-19(23)18(24)14-5-9-16(21)10-6-14/h1,3-10,12,18,24H,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
ZZXWUGUGQPHHBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
356.0483185

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
357.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCN1C=C(N=C1C(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCN1C=C(N=C1C(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
38

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.0483185

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  15  8
12  16  8
13  17  8
14  18  8
15  20  8
16  21  8
17  19  8
18  19  8
20  23  8
21  23  8
7  3  3
4  10  8
4  6  8
5  6  8
5  8  8
8  10  8
9  13  8
9  14  8

$$$$