[4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate

Formula:C29H23N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
MolecularFormulaC29H23N2O5Cl
SmilesO=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O
InChIInChI=1S/C29H23ClN2O5/c30-24-8-4-7-23(17-24)29(34)37-27-11-9-21(10-12-27)18-31-32-28(33)20-36-26-15-13-25(14-16-26)35-19-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,32,33)
InChIKMCEDPLDCQKRCBB-UHFFFAOYSA-N
TotalMolweight514.964
Molweight514.964
MonoisotopicMass514.12955
CLogP6.1611
CLogS-7.048
H Acceptors7
H Donors1
TotalSurfaceArea397.2
Relative PSA0.19902
PolarSurfaceArea86.22
Druglikeness4.0206
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.7027
Fragments1
Non HAtoms37
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms6
StereoCon

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