N-[(E)-3-(benzylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide

Formula:C23H18N2O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide is not a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
MolecularFormula	C23H18N2O2BrCl
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1Cl)NCc1ccccc1
InChI	InChI=1S/C23H18BrClN2O2/c24-19-10-8-18(9-11-19)22(28)27-21(14-16-6-12-20(25)13-7-16)23(29)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,26,29)(H,27,28)
InChIK	VEQMPVHVVGXJHF-UHFFFAOYSA-N
TotalMolweight	469.765
Molweight	469.765
MonoisotopicMass	468.024016
CLogP	5.4644
CLogS	-6.259
H Acceptors	4
H Donors	2
TotalSurfaceArea	323.72
Relative PSA	0.15137
PolarSurfaceArea	58.2
Druglikeness	1.6724
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	6
Amides	2
StereoCon

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