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

Formula:C18H16N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C18H16N3O5Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCO)=O)/NC(c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C18H16BrN3O5/c19-14-6-4-13(5-7-14)17(24)21-16(18(25)20-8-9-23)11-12-2-1-3-15(10-12)22(26)27/h1-7,10-11,23H,8-9H2,(H,20,25)(H,21,24)
InChIK	AIEWXNMUUHVLQE-UHFFFAOYSA-N
TotalMolweight	434.245
Molweight	434.245
MonoisotopicMass	433.027333
CLogP	1.9983
CLogS	-4.453
H Acceptors	8
H Donors	3
TotalSurfaceArea	292.32
Relative PSA	0.3165
PolarSurfaceArea	124.25
Druglikeness	-3.3871
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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