benzyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate

Formula:C12H12N2O4 Mutagenic:low Tumorigenic:low Reproductive Effective:low benzyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate is a drug-like molecule.

MolName	benzyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate
MolecularFormula	C12H12N2O4
Smiles	NC(NC(/C=C/C(OCc1ccccc1)=O)=O)=O
InChI	InChI=1S/C12H12N2O4/c13-12(17)14-10(15)6-7-11(16)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14,15,17)
InChIK	YQQNHXFZIRGNFM-UHFFFAOYSA-N
TotalMolweight	248.237
Molweight	248.237
MonoisotopicMass	248.079708
CLogP	0.3151
CLogS	-2.234
H Acceptors	6
H Donors	2
TotalSurfaceArea	196.75
Relative PSA	0.38551
PolarSurfaceArea	98.49
Druglikeness	-3.7588
Mutagenic	low
Tumorigenic	low
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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