(E)-4-(2-carbamoylanilino)-4-oxobut-2-enoate
Formula:C11H9N2O4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-4-(2-carbamoylanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(2-carbamoylanilino)-4-oxobut-2-enoate |
| MolecularFormula | C11H9N2O4 |
| Smiles | NC(c(cccc1)c1NC(/C=C/C([O-])=O)=O)=O |
| InChI | InChI=1S/C11H10N2O4/c12-11(17)7-3-1-2-4-8(7)13-9(14)5-6-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/p-1 |
| InChIK | NTPWWHIACBVFJR-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 | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| 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 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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