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

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

MolName	N-[(E)-3-(2-chloroanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H16N3O2Cl
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cnccc1)Nc(cccc1)c1Cl
InChI	InChI=1S/C21H16ClN3O2/c22-17-10-4-5-11-18(17)24-21(27)19(13-15-7-6-12-23-14-15)25-20(26)16-8-2-1-3-9-16/h1-14H,(H,24,27)(H,25,26)
InChIK	OMIVLKCMMAFMQF-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	low
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	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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