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

Formula:C21H16N3O2Br Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-3-(4-bromoanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-(4-bromoanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H16N3O2Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1ccncc1)Nc(cc1)ccc1Br
InChI	InChI=1S/C21H16BrN3O2/c22-17-6-8-18(9-7-17)24-21(27)19(14-15-10-12-23-13-11-15)25-20(26)16-4-2-1-3-5-16/h1-14H,(H,24,27)(H,25,26)
InChIK	OEBIIFYGNHFUBA-UHFFFAOYSA-N
TotalMolweight	422.281
Molweight	422.281
MonoisotopicMass	421.042588
CLogP	4.1481
CLogS	-4.912
H Acceptors	5
H Donors	2
TotalSurfaceArea	293.3
Relative PSA	0.20447
PolarSurfaceArea	71.09
Druglikeness	1.2027
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
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	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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