(E)-4-(2-aminoanilino)-4-oxobut-2-enoic acid
Formula:C10H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(2-aminoanilino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(2-aminoanilino)-4-oxobut-2-enoic acid |
| MolecularFormula | C10H10N2O3 |
| Smiles | Nc(cccc1)c1NC(/C=C/C(O)=O)=O |
| InChI | InChI=1S/C10H10N2O3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-6H,11H2,(H,12,13)(H,14,15) |
| InChIK | LSMDCAKKIPKCBO-UHFFFAOYSA-N |
| TotalMolweight | 206.2 |
| Molweight | 206.2 |
| MonoisotopicMass | 206.069143 |
| CLogP | 0.0663 |
| CLogS | -1.821 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 161.59 |
| Relative PSA | 0.40788 |
| PolarSurfaceArea | 92.42 |
| Druglikeness | 1.1285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-diamino-aryl |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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