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

Formula:C16H12N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName2-chloro-5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate
MolecularFormulaC16H12N2O2Cl
Smiles[O-]C(c(cc(cc1)N/N=C\C=C\c2ccccc2)c1Cl)=O
InChIInChI=1S/C16H13ClN2O2/c17-15-9-8-13(11-14(15)16(20)21)19-18-10-4-7-12-5-2-1-3-6-12/h1-11,19H,(H,20,21)/p-1
InChIKIIYBXMWVSGZMSX-UHFFFAOYSA-M
TotalMolweight299.736
Molweight299.736
MonoisotopicMass299.05873
CLogP2.8743
CLogS-4.19
H Acceptors4
H Donors1
TotalSurfaceArea236.44
Relative PSA0.2127
PolarSurfaceArea64.52
Druglikeness2.2897
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms21
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
AcidicOxygens1
StereoCon

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