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

Formula:C23H18N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
MolecularFormula	C23H18N3O4Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCc2ccccc2)=O)/NC(c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C23H18BrN3O4/c24-19-11-9-18(10-12-19)22(28)26-21(14-17-7-4-8-20(13-17)27(30)31)23(29)25-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,25,29)(H,26,28)
InChIK	RCFALHHXXYMKFL-UHFFFAOYSA-N
TotalMolweight	480.317
Molweight	480.317
MonoisotopicMass	479.048068
CLogP	3.9368
CLogS	-5.983
H Acceptors	7
H Donors	2
TotalSurfaceArea	331.97
Relative PSA	0.23924
PolarSurfaceArea	104.02
Druglikeness	-3.4647
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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