Mrv1533004251517242D          

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M  END
> <DATABASE_ID>
CHEM014951

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC(C)=C(C(=O)P(=O)(C2=CC=CC=C2)C2=CC=CC=C2)C(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3

> <INCHI_KEY>
VFHVQBAGLAREND-UHFFFAOYSA-N

> <FORMULA>
C22H21O2P

> <MOLECULAR_WEIGHT>
348.382

> <EXACT_MASS>
348.127916914

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
37.2238215248769

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(diphenylphosphoroso)(2,4,6-trimethylphenyl)methanone

> <ALOGPS_LOGP>
3.70

> <JCHEM_LOGP>
5.9571000000000005

> <ALOGPS_LOGS>
-5.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.428493282621377

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
103.75150000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.96e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(diphenylphosphoroso)(2,4,6-trimethylphenyl)methanone

> <JCHEM_VEBER_RULE>
1

> <NAME>
Phosphine oxide, diphenyl(2,4,6-trimethylbenzoyl)-

> <CAS>
75980-60-8

> <SYNONYMS>
(diphenylphosphoroso)(2,4,6-trimethylphenyl)methanone; diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide; Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide

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