(E)-2-anilino-4-(4-chlorophenyl)-4-oxo-N-pyridin-2-ylbut-2-enamide

Formula:C21H16N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-anilino-4-(4-chlorophenyl)-4-oxo-N-pyridin-2-ylbut-2-enamide is a drug-like molecule.

MolName	(E)-2-anilino-4-(4-chlorophenyl)-4-oxo-N-pyridin-2-ylbut-2-enamide
MolecularFormula	C21H16N3O2Cl
Smiles	O=C(/C=C(\C(Nc1ncccc1)=O)/Nc1ccccc1)c(cc1)ccc1Cl
InChI	InChI=1S/C21H16ClN3O2/c22-16-11-9-15(10-12-16)19(26)14-18(24-17-6-2-1-3-7-17)21(27)25-20-8-4-5-13-23-20/h1-14,24H,(H,23,25,27)
InChIK	XQCRSOLOBJGKML-UHFFFAOYSA-N
TotalMolweight	377.83
Molweight	377.83
MonoisotopicMass	377.093104
CLogP	4.0257
CLogS	-5.482
H Acceptors	5
H Donors	2
TotalSurfaceArea	290.09
Relative PSA	0.20673
PolarSurfaceArea	71.09
Druglikeness	3.1571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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