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

Formula:C19H18N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C19H18N3O5Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCCO)=O)/NC(c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C19H18BrN3O5/c20-15-7-5-14(6-8-15)18(25)22-17(19(26)21-9-2-10-24)12-13-3-1-4-16(11-13)23(27)28/h1,3-8,11-12,24H,2,9-10H2,(H,21,26)(H,22,25)
InChIK	XFLBQARRYBHSLW-UHFFFAOYSA-N
TotalMolweight	448.272
Molweight	448.272
MonoisotopicMass	447.042983
CLogP	2.4527
CLogS	-4.723
H Acceptors	8
H Donors	3
TotalSurfaceArea	306.08
Relative PSA	0.30227
PolarSurfaceArea	124.25
Druglikeness	-5.1987
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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