N-[(E)-3-(4-bromoanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H16N2O2BrF Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-3-(4-bromoanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(4-bromoanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H16N2O2BrF
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1F)Nc(cc1)ccc1Br
InChI	InChI=1S/C22H16BrFN2O2/c23-17-8-12-19(13-9-17)25-22(28)20(14-15-6-10-18(24)11-7-15)26-21(27)16-4-2-1-3-5-16/h1-14H,(H,25,28)(H,26,27)
InChIK	YMLOBIAPMJIXSZ-UHFFFAOYSA-N
TotalMolweight	439.283
Molweight	439.283
MonoisotopicMass	438.037917
CLogP	5.2498
CLogS	-6.021
H Acceptors	4
H Donors	2
TotalSurfaceArea	300.89
Relative PSA	0.16285
PolarSurfaceArea	58.2
Druglikeness	-0.13733
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	6
Amides	2
StereoCon

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