4-oxo-2,6-diphenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine

Formula:C24H18N2O2F3P Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-oxo-2,6-diphenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine is not a drug-like molecule.

MolName4-oxo-2,6-diphenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
MolecularFormulaC24H18N2O2F3P
SmilesO=P1(C=C(c2ccccc2)OC(c2ccccc2)=C1)N/N=C\c1c(C(F)(F)F)cccc1
InChIInChI=1S/C24H18F3N2O2P/c25-24(26,27)21-14-8-7-13-20(21)15-28-29-32(30)16-22(18-9-3-1-4-10-18)31-23(17-32)19-11-5-2-6-12-19/h1-17H,(H,29,30)
InChIKFVWVYRDHFMCYIT-UHFFFAOYSA-N
TotalMolweight454.387
Molweight454.387
MonoisotopicMass454.105799
CLogP5.6283
CLogS-4.339
H Acceptors4
H Donors1
TotalSurfaceArea328.15
Relative PSA0.15234
PolarSurfaceArea60.5
Druglikeness-19.298
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.4375
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms12
StereoCon

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