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

Formula:C22H16N2O2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(3-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(3-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H16N2O2ClF
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1F)Nc1cccc(Cl)c1
InChI	InChI=1S/C22H16ClFN2O2/c23-17-7-4-8-19(14-17)25-22(28)20(13-15-9-11-18(24)12-10-15)26-21(27)16-5-2-1-3-6-16/h1-14H,(H,25,28)(H,26,27)
InChIK	MMSSXAWXXNGRNF-UHFFFAOYSA-N
TotalMolweight	394.832
Molweight	394.832
MonoisotopicMass	394.088433
CLogP	5.1306
CLogS	-5.923
H Acceptors	4
H Donors	2
TotalSurfaceArea	297.68
Relative PSA	0.16461
PolarSurfaceArea	58.2
Druglikeness	1.7005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.46429
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	4
Amides	2
StereoCon

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