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

Formula:C16H15N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C16H15N3O6
Smiles	[O-][N+](c1cc(/C=C(\C(NCCO)=O)/NC(c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C16H15N3O6/c20-7-6-17-15(21)13(18-16(22)14-5-2-8-25-14)10-11-3-1-4-12(9-11)19(23)24/h1-5,8-10,20H,6-7H2,(H,17,21)(H,18,22)
InChIK	YOVFQAQXVIEJOL-UHFFFAOYSA-N
TotalMolweight	345.31
Molweight	345.31
MonoisotopicMass	345.096087
CLogP	0.4618
CLogS	-3.301
H Acceptors	9
H Donors	3
TotalSurfaceArea	263.38
Relative PSA	0.40485
PolarSurfaceArea	137.39
Druglikeness	-1.592
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	2
AcidicOxygens	1
StereoCon

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