(E)-4-(1,3-benzodioxol-5-ylamino)-4-oxobut-2-enoate

Formula:C11H8NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(1,3-benzodioxol-5-ylamino)-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-(1,3-benzodioxol-5-ylamino)-4-oxobut-2-enoate
MolecularFormula	C11H8NO5
Smiles	[O-]C(/C=C/C(Nc(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C11H9NO5/c13-10(3-4-11(14)15)12-7-1-2-8-9(5-7)17-6-16-8/h1-5H,6H2,(H,12,13)(H,14,15)/p-1
InChIK	MQNBYAMMODYMMC-UHFFFAOYSA-M
TotalMolweight	234.187
Molweight	234.187
MonoisotopicMass	234.040249
CLogP	-1.221
CLogS	-2.456
H Acceptors	6
H Donors	1
TotalSurfaceArea	174.51
Relative PSA	0.41155
PolarSurfaceArea	87.69
Druglikeness	-0.14535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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