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

Formula:C16H13N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(Z)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C16H13N3O7
Smiles	[O-][N+](c1ccc(/C=C(/C(NCC(O)=O)=O)\NC(c2ccco2)=O)cc1)=O
InChI	InChI=1S/C16H13N3O7/c20-14(21)9-17-15(22)12(18-16(23)13-2-1-7-26-13)8-10-3-5-11(6-4-10)19(24)25/h1-8H,9H2,(H,17,22)(H,18,23)(H,20,21)
InChIK	DNAOREXTJBCPCP-UHFFFAOYSA-N
TotalMolweight	359.293
Molweight	359.293
MonoisotopicMass	359.075352
CLogP	0.1122
CLogS	-3.283
H Acceptors	10
H Donors	3
TotalSurfaceArea	267.37
Relative PSA	0.44758
PolarSurfaceArea	154.46
Druglikeness	-6.4966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - 2-[[(Z)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(Z)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid

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