(E)-4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoate

Formula:C12H7N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoate
MolecularFormula	C12H7N2O5
Smiles	[O-]C(/C=C/C(NN(C(c1c2cccc1)=O)C2=O)=O)=O
InChI	InChI=1S/C12H8N2O5/c15-9(5-6-10(16)17)13-14-11(18)7-3-1-2-4-8(7)12(14)19/h1-6H,(H,13,15)(H,16,17)/p-1
InChIK	WRVJSYIFBDBZJF-UHFFFAOYSA-M
TotalMolweight	259.197
Molweight	259.197
MonoisotopicMass	259.035498
CLogP	-3.0718
CLogS	-1.788
H Acceptors	7
H Donors	1
TotalSurfaceArea	186.55
Relative PSA	0.43661
PolarSurfaceArea	106.61
Druglikeness	1.7413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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