[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C29H19N2O6Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC29H19N2O6Cl3
SmilesO=C(COc(cc1)ccc1Cl)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O
InChIInChI=1S/C29H19Cl3N2O6/c30-21-6-1-18(2-7-21)28(36)39-25-12-5-20(26(15-25)40-29(37)19-3-8-22(31)9-4-19)16-33-34-27(35)17-38-24-13-10-23(32)11-14-24/h1-16H,17H2,(H,34,35)
InChIKSJLGITMRLCJCIR-UHFFFAOYSA-N
TotalMolweight597.837
Molweight597.837
MonoisotopicMass596.030869
CLogP7.4555
CLogS-8.649
H Acceptors8
H Donors1
TotalSurfaceArea432.03
Relative PSA0.21316
PolarSurfaceArea103.29
Druglikeness4.0206
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55
Fragments1
Non HAtoms40
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms6
StereoCon

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