(E)-4-(carbamoylamino)-4-oxobut-2-enoic acid
Formula:C5H6N2O4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(E)-4-(carbamoylamino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(carbamoylamino)-4-oxobut-2-enoic acid |
| MolecularFormula | C5H6N2O4 |
| Smiles | NC(NC(/C=C/C(O)=O)=O)=O |
| InChI | InChI=1S/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11) |
| InChIK | GWGLGTKSTGSWGQ-UHFFFAOYSA-N |
| TotalMolweight | 158.113 |
| Molweight | 158.113 |
| MonoisotopicMass | 158.032758 |
| CLogP | -1.5309 |
| CLogS | -0.783 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 119.58 |
| Relative PSA | 0.66023 |
| PolarSurfaceArea | 109.49 |
| Druglikeness | 1.9919 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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