3086242
  -OEChem-05042401002D

 31 33  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    2.6771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.0676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139    1.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    3.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136    4.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    3.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3086242

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
304

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgIAAAAADArhniY/1LcMFACgAzRnZASCiC0xd6AJ2CA9fpiObuLF+9ufPCjuwBvY6CeQ0CAOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(2-chlorophenyl)methoxy]-1-methyl-imidazo[4,5-c]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine

> <PUBCHEM_IUPAC_NAME>
4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(2-chlorophenyl)methoxy]-1-methyl-imidazo[4,5-c]pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2-chlorobenzyl)oxy-1-methyl-imidazo[4,5-c]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12ClN3O/c1-18-9-17-13-12(18)6-7-16-14(13)19-8-10-4-2-3-5-11(10)15/h2-7,9H,8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
XRGNABQSJLQUGV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
273.0668897

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
273.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=NC2=C1C=CN=C2OCC3=CC=CC=C3Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=NC2=C1C=CN=C2OCC3=CC=CC=C3Cl

> <PUBCHEM_CACTVS_TPSA>
39.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.0668897

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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
15  17  8
16  18  8
17  19  8
18  19  8
3  10  8
3  6  8
4  10  8
4  7  8
5  14  8
5  8  8
6  7  8
6  9  8
7  8  8
9  14  8

$$$$