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

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

MolName	4-[[(Z)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C18H17N3O7
Smiles	[O-][N+](c1ccc(/C=C(/C(NCCCC(O)=O)=O)\NC(c2ccco2)=O)cc1)=O
InChI	InChI=1S/C18H17N3O7/c22-16(23)4-1-9-19-17(24)14(20-18(25)15-3-2-10-28-15)11-12-5-7-13(8-6-12)21(26)27/h2-3,5-8,10-11H,1,4,9H2,(H,19,24)(H,20,25)(H,22,23)
InChIK	QKWWNXIYMCZUFU-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	0.53571
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
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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