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C11H9N2O4 | Cheminformatics
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(E)-4-(4-carbamoylanilino)-4-oxobut-2-enoate

Molecular Formula : C11H9N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-4-(4-carbamoylanilino)-4-oxobut-2-enoate is a drug-like molecule.

MolName : (E)-4-(4-carbamoylanilino)-4-oxobut-2-enoate

MolecularFormula : C11H9N2O4

Smiles : NC(c(cc1)ccc1NC(/C=C/C([O-])=O)=O)=O

InChI : InChI=1S/C11H10N2O4/c12-11(17)7-1-3-8(4-2-7)13-9(14)5-6-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/p-1

InChIK : PDXYZWLCNNSKBX-UHFFFAOYSA-M

TotalMolweight : 233.202

Molweight : 233.202

MonoisotopicMass : 233.056233

CLogP : -2.2451

CLogS : -1.834

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 180.52

Relative PSA : 0.44388

PolarSurfaceArea : 112.32

Druglikeness : 0.38912

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.70588

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 1

Symmetricatoms : 2

Amides : 2

AcidicOxygens : 1

StereoCon :

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