70678118
  -OEChem-04262419192D

 27 27  0     1  0  0  0  0  0999 V2000
    6.0307    2.5924    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4937    4.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278    5.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2349    3.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    4.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    5.6848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289    5.2464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744    3.2623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338    3.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307    5.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0307    2.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70678118

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
139

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAEAAAAAAAAAAAAAABYAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADRThmAYwAILAAgCAAiBCAAACAAAgAAAIiIAICIgINiKAkRCEcAAm0AEImAeQwOAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
azetidin-3-yl(phenyl)methanol;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
3-azetidinyl(phenyl)methanol;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
azetidin-3-yl(phenyl)methanol;hydrochloride

> <PUBCHEM_IUPAC_NAME>
azetidin-3-yl(phenyl)methanol;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azetidin-3-yl(phenyl)methanol;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
azetidin-3-yl(phenyl)methanol;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13NO.ClH/c12-10(9-6-11-7-9)8-4-2-1-3-5-8;/h1-5,9-12H,6-7H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
ABCUTHOEKRCYIS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
199.0763918

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
199.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(CN1)C(C2=CC=CC=C2)O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(CN1)C(C2=CC=CC=C2)O.Cl

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
199.0763918

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
7  2  3
8  10  8
8  9  8
9  11  8

$$$$