2-bromo-N-[(E)-3-(naphthalen-2-ylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C26H18N3O4Br Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-bromo-N-[(E)-3-(naphthalen-2-ylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	2-bromo-N-[(E)-3-(naphthalen-2-ylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C26H18N3O4Br
Smiles	[O-][N+](c1cccc(/C=C(\C(Nc2cc3ccccc3cc2)=O)/NC(c(cccc2)c2Br)=O)c1)=O
InChI	InChI=1S/C26H18BrN3O4/c27-23-11-4-3-10-22(23)25(31)29-24(15-17-6-5-9-21(14-17)30(33)34)26(32)28-20-13-12-18-7-1-2-8-19(18)16-20/h1-16H,(H,28,32)(H,29,31)
InChIK	YILDFDQHJZWNAI-UHFFFAOYSA-N
TotalMolweight	516.35
Molweight	516.35
MonoisotopicMass	515.048068
CLogP	5.4218
CLogS	-7.773
H Acceptors	7
H Donors	2
TotalSurfaceArea	352.81
Relative PSA	0.22511
PolarSurfaceArea	104.02
Druglikeness	-3.9078
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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