N-[(Z)-3-(3-chloroanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

Formula:C21H16N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(3-chloroanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-(3-chloroanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H16N3O2Cl
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1ccncc1)Nc1cccc(Cl)c1
InChI	InChI=1S/C21H16ClN3O2/c22-17-7-4-8-18(14-17)24-21(27)19(13-15-9-11-23-12-10-15)25-20(26)16-5-2-1-3-6-16/h1-14H,(H,24,27)(H,25,26)
InChIK	IZZNPFXLZTYTHS-UHFFFAOYSA-N
TotalMolweight	377.83
Molweight	377.83
MonoisotopicMass	377.093104
CLogP	4.0289
CLogS	-4.814
H Acceptors	5
H Donors	2
TotalSurfaceArea	290.09
Relative PSA	0.20673
PolarSurfaceArea	71.09
Druglikeness	3.0405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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