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

Formula:C18H17N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C18H17N3O7
Smiles	[O-][N+](c1cc(/C=C(\C(NCCCC(O)=O)=O)/NC(c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C18H17N3O7/c22-16(23)7-2-8-19-17(24)14(20-18(25)15-6-3-9-28-15)11-12-4-1-5-13(10-12)21(26)27/h1,3-6,9-11H,2,7-8H2,(H,19,24)(H,20,25)(H,22,23)
InChIK	NANLUKQKINHVKR-UHFFFAOYSA-N
TotalMolweight	387.347
Molweight	387.347
MonoisotopicMass	387.106652
CLogP	1.021
CLogS	-3.823
H Acceptors	10
H Donors	3
TotalSurfaceArea	294.89
Relative PSA	0.40581
PolarSurfaceArea	154.46
Druglikeness	-3.6928
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	2
AcidicOxygens	2
StereoCon

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