(E)-4-(2-ethenylanilino)-4-oxobut-2-enoic acid

Formula:C12H11NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(2-ethenylanilino)-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-(2-ethenylanilino)-4-oxobut-2-enoic acid
MolecularFormula	C12H11NO3
Smiles	C=Cc(cccc1)c1NC(/C=C/C(O)=O)=O
InChI	InChI=1S/C12H11NO3/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12(15)16/h2-8H,1H2,(H,13,14)(H,15,16)
InChIK	QMTYSAGVBYXBSG-UHFFFAOYSA-N
TotalMolweight	217.223
Molweight	217.223
MonoisotopicMass	217.073894
CLogP	1.4465
CLogS	-2.55
H Acceptors	4
H Donors	2
TotalSurfaceArea	177.61
Relative PSA	0.28512
PolarSurfaceArea	66.4
Druglikeness	-1.5522
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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