(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-3-enehydrazide

Formula:C31H24N2O5ClP Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-3-enehydrazide is not a drug-like molecule.

MolName(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxo-N'-[2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoyl]but-3-enehydrazide
MolecularFormulaC31H24N2O5ClP
SmilesO/C(/c(cc1)ccc1Cl)=C\C(C(NNC(C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)=O)=O)=O
InChIInChI=1S/C31H24ClN2O5P/c32-23-18-16-22(17-19-23)27(35)20-28(36)30(38)33-34-31(39)29(37)21-40(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21,35H,(H,33,38)(H,34,39)
InChIKZCUKRGOAHRHPJQ-UHFFFAOYSA-N
TotalMolweight570.968
Molweight570.968
MonoisotopicMass570.111137
CLogP3.7044
CLogS-6.917
H Acceptors7
H Donors3
TotalSurfaceArea423.67
Relative PSA0.21753
PolarSurfaceArea122.38
Druglikeness-9.4198
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms2
Symmetricatoms16
StereoCon

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