[2-[(Z)-[[8-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C36H34N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[8-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName[2-[(Z)-[[8-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC36H34N4O6
SmilesO=C(CCCCCCC(N/N=C\c(cccc1)c1OC(c1ccccc1)=O)=O)N/N=C\c(cccc1)c1OC(c1ccccc1)=O
InChIInChI=1S/C36H34N4O6/c41-33(39-37-25-29-19-11-13-21-31(29)45-35(43)27-15-5-3-6-16-27)23-9-1-2-10-24-34(42)40-38-26-30-20-12-14-22-32(30)46-36(44)28-17-7-4-8-18-28/h3-8,11-22,25-26H,1-2,9-10,23-24H2,(H,39,41)(H,40,42)
InChIKADZNFWFYOGWXCZ-UHFFFAOYSA-N
TotalMolweight618.688
Molweight618.688
MonoisotopicMass618.247836
CLogP8.1258
CLogS-8.678
H Acceptors10
H Donors2
TotalSurfaceArea498.54
Relative PSA0.23689
PolarSurfaceArea135.52
Druglikeness-4.422
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65217
Fragments1
Non HAtoms46
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond17
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms25
StereoCon

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