4-oxo-2,6-diphenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,4lambda5-oxaphosphinin-4-amine

Formula:C22H18N3O2P Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-oxo-2,6-diphenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,4lambda5-oxaphosphinin-4-amine is a drug-like molecule.

MolName4-oxo-2,6-diphenyl-N-[(Z)-pyridin-4-ylmethylideneamino]-1,4lambda5-oxaphosphinin-4-amine
MolecularFormulaC22H18N3O2P
SmilesO=P1(C=C(c2ccccc2)OC(c2ccccc2)=C1)N/N=C\c1ccncc1
InChIInChI=1S/C22H18N3O2P/c26-28(25-24-15-18-11-13-23-14-12-18)16-21(19-7-3-1-4-8-19)27-22(17-28)20-9-5-2-6-10-20/h1-17H,(H,25,26)
InChIKRIUNSSRUKHALAL-UHFFFAOYSA-N
TotalMolweight387.378
Molweight387.378
MonoisotopicMass387.113664
CLogP3.7791
CLogS-2.766
H Acceptors5
H Donors1
TotalSurfaceArea297.45
Relative PSA0.20494
PolarSurfaceArea73.39
Druglikeness-12.108
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms12
Aromatic Nitrogens1
StereoCon

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