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

Formula:C17H17N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C17H17N3O6
Smiles	[O-][N+](c1cc(/C=C(\C(NCCCO)=O)/NC(c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C17H17N3O6/c21-8-3-7-18-16(22)14(19-17(23)15-6-2-9-26-15)11-12-4-1-5-13(10-12)20(24)25/h1-2,4-6,9-11,21H,3,7-8H2,(H,18,22)(H,19,23)
InChIK	NDBZPWHNCLWQNZ-UHFFFAOYSA-N
TotalMolweight	359.337
Molweight	359.337
MonoisotopicMass	359.111737
CLogP	0.9162
CLogS	-3.571
H Acceptors	9
H Donors	3
TotalSurfaceArea	277.14
Relative PSA	0.38475
PolarSurfaceArea	137.39
Druglikeness	-3.3619
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
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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