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

Formula:C22H15N2O2Br2Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-3-(4-bromoanilino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is not a drug-like molecule.

MolName	N-[(E)-3-(4-bromoanilino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C22H15N2O2Br2Cl
Smiles	O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c(cc1)ccc1Br)Nc(cc1)ccc1Br
InChI	InChI=1S/C22H15Br2ClN2O2/c23-15-7-5-14(6-8-15)13-20(22(29)26-17-11-9-16(24)10-12-17)27-21(28)18-3-1-2-4-19(18)25/h1-13H,(H,26,29)(H,27,28)
InChIK	XQIJAKHGNDDWAZ-UHFFFAOYSA-N
TotalMolweight	534.634
Molweight	534.634
MonoisotopicMass	531.918877
CLogP	6.4802
CLogS	-7.277
H Acceptors	4
H Donors	2
TotalSurfaceArea	328.59
Relative PSA	0.14912
PolarSurfaceArea	58.2
Druglikeness	1.2505
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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