3-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid

Formula:C17H15N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C17H15N3O7
Smiles	[O-][N+](c1cc(/C=C(\C(NCCC(O)=O)=O)/NC(c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C17H15N3O7/c21-15(22)6-7-18-16(23)13(19-17(24)14-5-2-8-27-14)10-11-3-1-4-12(9-11)20(25)26/h1-5,8-10H,6-7H2,(H,18,23)(H,19,24)(H,21,22)
InChIK	YENWHBXQSZDNOE-UHFFFAOYSA-N
TotalMolweight	373.32
Molweight	373.32
MonoisotopicMass	373.091002
CLogP	0.5666
CLogS	-3.553
H Acceptors	10
H Donors	3
TotalSurfaceArea	281.13
Relative PSA	0.42567
PolarSurfaceArea	154.46
Druglikeness	-1.4189
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	4
Amides	2
AcidicOxygens	2
StereoCon

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