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(3Z)-3-[(Z)-[2-cyano-2-(triphenyl-lambda5-phosphanylidene)ethylidene]hydrazinylidene]-2-(triphenyl-lambda5-phosphanylidene)propanenitrile

Formula:C42H32N4P2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-[(Z)-[2-cyano-2-(triphenyl-lambda5-phosphanylidene)ethylidene]hydrazinylidene]-2-(triphenyl-lambda5-phosphanylidene)propanenitrile is not a drug-like molecule.
MolName(3Z)-3-[(Z)-[2-cyano-2-(triphenyl-lambda5-phosphanylidene)ethylidene]hydrazinylidene]-2-(triphenyl-lambda5-phosphanylidene)propanenitrile
MolecularFormulaC42H32N4P2
SmilesN#CC(/C=N\N=C/C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32N4P2/c43-31-41(47(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)33-45-46-34-42(32-44)48(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,33-34H
InChIKSYLGWZXRWURIRW-UHFFFAOYSA-N
TotalMolweight654.692
Molweight654.692
MonoisotopicMass654.21022
CLogP9.74
CLogS-10.974
H Acceptors4
TotalSurfaceArea522.88
Relative PSA0.11112
PolarSurfaceArea91.92
Druglikeness-11.678
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsdimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.33333
Fragments1
Non HAtoms48
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms36
Sp3Atoms2
Symmetricatoms38
StereoCon

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