(E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]-4-chloroanilino]-4-oxobut-2-enoic acid

Formula:C14H11N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]-4-chloroanilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]-4-chloroanilino]-4-oxobut-2-enoic acid
MolecularFormula	C14H11N2O6Cl
Smiles	OC(/C=C/C(Nc(cc1)cc(NC(/C=C/C(O)=O)=O)c1Cl)=O)=O
InChI	InChI=1S/C14H11ClN2O6/c15-9-2-1-8(16-11(18)3-5-13(20)21)7-10(9)17-12(19)4-6-14(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)
InChIK	HSDNLYWHXUATJJ-UHFFFAOYSA-N
TotalMolweight	338.702
Molweight	338.702
MonoisotopicMass	338.030565
CLogP	0.4336
CLogS	-2.61
H Acceptors	8
H Donors	4
TotalSurfaceArea	248.3
Relative PSA	0.40789
PolarSurfaceArea	132.8
Druglikeness	1.2003
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]-4-chloroanilino]-4-oxobut-2-enoic acid | 2 - (E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]-4-chloroanilino]-4-oxobut-2-enoic acid

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