Mrv1572004191604202D          

 20 22  0  0  0  0            999 V2000
    2.9684    3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.4586    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 18 15  1  0  0  0  0
 20 16  1  0  0  0  0
 20 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015110

> <DATABASE_NAME>
chemdb

> <SMILES>
O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

> <INCHI_KEY>
FIQMHBFVRAXMOP-UHFFFAOYSA-N

> <FORMULA>
C18H15OP

> <MOLECULAR_WEIGHT>
278.291

> <EXACT_MASS>
278.086052101

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
29.3168595066004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(diphenylphosphoroso)benzene

> <ALOGPS_LOGP>
4.04

> <JCHEM_LOGP>
4.755199999999999

> <ALOGPS_LOGS>
-5.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.4476706221382205

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
83.06580000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.66e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triphenylphosphine oxide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Phosphine oxide, triphenyl-

> <CAS>
791-28-6

> <SYNONYMS>
(diphenylphosphoroso)benzene; Triphenylphosphine oxide; triphenylphosphine oxide

$$$$