2-chloro-5-[(2Z)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoate

Formula:C16H11N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-5-[(2Z)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName2-chloro-5-[(2Z)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoate
MolecularFormulaC16H11N2O2Cl2
Smiles[O-]C(c(cc(cc1)N/N=C\C(\Cl)=C\c2ccccc2)c1Cl)=O
InChIInChI=1S/C16H12Cl2N2O2/c17-12(8-11-4-2-1-3-5-11)10-19-20-13-6-7-15(18)14(9-13)16(21)22/h1-10,20H,(H,21,22)/p-1
InChIKRHCYWSAWAFHLEL-UHFFFAOYSA-M
TotalMolweight334.181
Molweight334.181
MonoisotopicMass333.019757
CLogP3.3359
CLogS-4.881
H Acceptors4
H Donors1
TotalSurfaceArea250.07
Relative PSA0.2011
PolarSurfaceArea64.52
Druglikeness2.5657
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
AcidicOxygens1
StereoCon

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