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[3-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Formula:C28H19N2O4Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
MolName[3-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormulaC28H19N2O4Cl3
SmilesO=C(c(cccc1)c1OCc(cc1)ccc1Cl)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1
InChIInChI=1S/C28H19Cl3N2O4/c29-20-10-8-18(9-11-20)17-36-26-7-2-1-6-24(26)27(34)33-32-16-19-4-3-5-22(14-19)37-28(35)23-13-12-21(30)15-25(23)31/h1-16H,17H2,(H,33,34)
InChIKBRAOESCONKCLSI-UHFFFAOYSA-N
TotalMolweight553.828
Molweight553.828
MonoisotopicMass552.041039
CLogP7.7982
CLogS-8.74
H Acceptors6
H Donors1
TotalSurfaceArea404.28
Relative PSA0.1708
PolarSurfaceArea76.99
Druglikeness3.8381
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.62162
Fragments1
Non HAtoms37
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms2
StereoCon

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