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

Formula:C22H15N2O2Br3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(E)-3-(3-bromoanilino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	3-bromo-N-[(E)-3-(3-bromoanilino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H15N2O2Br3
Smiles	O=C(/C(/NC(c1cc(Br)ccc1)=O)=C\c(cc1)ccc1Br)Nc1cccc(Br)c1
InChI	InChI=1S/C22H15Br3N2O2/c23-16-9-7-14(8-10-16)11-20(22(29)26-19-6-2-5-18(25)13-19)27-21(28)15-3-1-4-17(24)12-15/h1-13H,(H,26,29)(H,27,28)
InChIK	PEGNDPBJNJAUDP-UHFFFAOYSA-N
TotalMolweight	579.085
Molweight	579.085
MonoisotopicMass	575.868361
CLogP	6.5994
CLogS	-7.375
H Acceptors	4
H Donors	2
TotalSurfaceArea	331.8
Relative PSA	0.14768
PolarSurfaceArea	58.2
Druglikeness	1.2027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44828
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	2
Amides	2
StereoCon

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