5-bromo-N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C17H16N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	5-bromo-N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C17H16N3O6Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCCO)=O)/NC(c(o2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C17H16BrN3O6/c18-15-6-5-14(27-15)17(24)20-13(16(23)19-7-2-8-22)10-11-3-1-4-12(9-11)21(25)26/h1,3-6,9-10,22H,2,7-8H2,(H,19,23)(H,20,24)
InChIK	PEMACRVMUAAAJX-UHFFFAOYSA-N
TotalMolweight	438.233
Molweight	438.233
MonoisotopicMass	437.022248
CLogP	1.7388
CLogS	-4.168
H Acceptors	9
H Donors	3
TotalSurfaceArea	295.77
Relative PSA	0.36052
PolarSurfaceArea	137.39
Druglikeness	-5.5884
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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