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

Formula:C23H19N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C23H19N3O7
Smiles	[O-][N+](c1ccc(/C=C(\C(NC(Cc2ccccc2)C(O)=O)=O)/NC(c2ccco2)=O)cc1)=O
InChI	InChI=1S/C23H19N3O7/c27-21(25-19(23(29)30)14-15-5-2-1-3-6-15)18(24-22(28)20-7-4-12-33-20)13-16-8-10-17(11-9-16)26(31)32/h1-13,19H,14H2,(H,24,28)(H,25,27)(H,29,30)/t19-/m0/s1
InChIK	MFISJHWYBFLQDK-IBGZPJMESA-N
TotalMolweight	449.418
Molweight	449.418
MonoisotopicMass	449.122302
CLogP	1.9134
CLogS	-4.796
H Acceptors	10
H Donors	3
TotalSurfaceArea	339.63
Relative PSA	0.35235
PolarSurfaceArea	154.46
Druglikeness	-12.562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon	racemate

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

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