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

Formula:C22H15N2O2BrClF Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-3-(4-bromoanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is not a drug-like molecule.

MolName	N-[(E)-3-(4-bromoanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C22H15N2O2BrClF
Smiles	O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c(cc1)ccc1F)Nc(cc1)ccc1Br
InChI	InChI=1S/C22H15BrClFN2O2/c23-15-7-11-17(12-8-15)26-22(29)20(13-14-5-9-16(25)10-6-14)27-21(28)18-3-1-2-4-19(18)24/h1-13H,(H,26,29)(H,27,28)
InChIK	WIRFQJOEPRMQFT-UHFFFAOYSA-N
TotalMolweight	473.728
Molweight	473.728
MonoisotopicMass	471.998944
CLogP	5.8558
CLogS	-6.757
H Acceptors	4
H Donors	2
TotalSurfaceArea	316.31
Relative PSA	0.15491
PolarSurfaceArea	58.2
Druglikeness	-0.0895
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	4
Amides	2
StereoCon

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