3-[[(E)-2-carboxyethenyl]amino]-5-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid

Formula:C14H12N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-carboxyethenyl]amino]-5-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(E)-2-carboxyethenyl]amino]-5-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid
MolecularFormula	C14H12N2O7
Smiles	OC(/C=C/C(Nc1cc(N/C=C/C(O)=O)cc(C(O)=O)c1)=O)=O
InChI	InChI=1S/C14H12N2O7/c17-11(1-2-12(18)19)16-10-6-8(14(22)23)5-9(7-10)15-4-3-13(20)21/h1-7,15H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIK	CNVPYOXEMHYLAZ-UHFFFAOYSA-N
TotalMolweight	320.256
Molweight	320.256
MonoisotopicMass	320.064453
CLogP	-0.7863
CLogS	-2.087
H Acceptors	9
H Donors	5
TotalSurfaceArea	239.23
Relative PSA	0.47812
PolarSurfaceArea	153.03
Druglikeness	1.1378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
AcidicOxygens	3
StereoCon

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1 - 3-[[(E)-2-carboxyethenyl]amino]-5-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid | 2 - 3-[[(E)-2-carboxyethenyl]amino]-5-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid

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