5-chloro-2-hydroxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

Formula:C16H13N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-chloro-2-hydroxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName5-chloro-2-hydroxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
MolecularFormulaC16H13N2O2Cl
SmilesOc(ccc(Cl)c1)c1C(N/N=C\C=C\c1ccccc1)=O
InChIInChI=1S/C16H13ClN2O2/c17-13-8-9-15(20)14(11-13)16(21)19-18-10-4-7-12-5-2-1-3-6-12/h1-11,20H,(H,19,21)
InChIKINMJRMBKJZXMFI-UHFFFAOYSA-N
TotalMolweight300.744
Molweight300.744
MonoisotopicMass300.066555
CLogP3.4802
CLogS-4.453
H Acceptors4
H Donors2
TotalSurfaceArea235.26
Relative PSA0.20875
PolarSurfaceArea61.69
Druglikeness4.4417
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms21
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
StereoCon

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