(E)-4-[4-[[(E)-3-carboxylatoprop-2-enoyl]amino]anilino]-4-oxobut-2-enoate

Formula:C14H10N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-4-[4-[[(E)-3-carboxylatoprop-2-enoyl]amino]anilino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[4-[[(E)-3-carboxylatoprop-2-enoyl]amino]anilino]-4-oxobut-2-enoate
MolecularFormula	C14H10N2O6
Smiles	[O-]C(/C=C/C(Nc(cc1)ccc1NC(/C=C/C([O-])=O)=O)=O)=O
InChI	InChI=1S/C14H12N2O6/c17-11(5-7-13(19)20)15-9-1-2-10(4-3-9)16-12(18)6-8-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/p-2
InChIK	OUMVYHHZWFPSFH-UHFFFAOYSA-L
TotalMolweight	302.241
Molweight	302.241
MonoisotopicMass	302.053888
CLogP	-4.3244
CLogS	-1.874
H Acceptors	8
H Donors	2
TotalSurfaceArea	235.24
Relative PSA	0.44057
PolarSurfaceArea	138.46
Druglikeness	-0.13705
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	12
Amides	2
AcidicOxygens	2
StereoCon

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