Mrv1652306031609492D          

 20 22  0  0  1  0            999 V2000
   -1.0950    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825    3.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425    3.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1425    3.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1425    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175    3.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0475    2.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.2615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3800    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126    2.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151    3.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 17 15  1  0  0  0  0
 16 17  1  6  0  0  0
 18 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 16 20  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM045938

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@]1(CCCN1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1

> <INCHI_KEY>
OGCGXUGBDJGFFY-INIZCTEOSA-N

> <FORMULA>
C17H19NO

> <MOLECULAR_WEIGHT>
253.345

> <EXACT_MASS>
253.146664236

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
28.679026379052758

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
diphenyl[(2S)-pyrrolidin-2-yl]methanol

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
2.8763464659999998

> <ALOGPS_LOGS>
-3.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.901562662635218

> <JCHEM_PKA_STRONGEST_BASIC>
10.429972758447473

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
77.1829

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diphenyl((2S)-pyrrolidin-2-yl)methanol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Diphenylprolinol (D2PM)

> <CAS>
22348-32-9

$$$$