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[2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C28H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName[2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC28H21N2O4Cl
SmilesO=C(c(cc1)ccc1OCc1ccccc1)N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O
InChIInChI=1S/C28H21ClN2O4/c29-24-14-10-22(11-15-24)28(33)35-26-9-5-4-8-23(26)18-30-31-27(32)21-12-16-25(17-13-21)34-19-20-6-2-1-3-7-20/h1-18H,19H2,(H,31,32)
InChIKBYYHMHAKFLDQHI-UHFFFAOYSA-N
TotalMolweight484.938
Molweight484.938
MonoisotopicMass484.118985
CLogP6.5862
CLogS-7.268
H Acceptors6
H Donors1
TotalSurfaceArea373.44
Relative PSA0.1849
PolarSurfaceArea76.99
Druglikeness3.8381
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65714
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms6
StereoCon

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