(Z)-4-(5-carbamoyl-2-chloroanilino)-4-oxobut-2-enoic acid
Formula:C11H9N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(5-carbamoyl-2-chloroanilino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (Z)-4-(5-carbamoyl-2-chloroanilino)-4-oxobut-2-enoic acid |
| MolecularFormula | C11H9N2O4Cl |
| Smiles | NC(c(cc1)cc(NC(/C=C\C(O)=O)=O)c1Cl)=O |
| InChI | InChI=1S/C11H9ClN2O4/c12-7-2-1-6(11(13)18)5-8(7)14-9(15)3-4-10(16)17/h1-5H,(H2,13,18)(H,14,15)(H,16,17) |
| InChIK | RXTODWHTMIISAH-UHFFFAOYSA-N |
| TotalMolweight | 268.655 |
| Molweight | 268.655 |
| MonoisotopicMass | 268.025085 |
| CLogP | 0.4369 |
| CLogS | -2.57 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 194.76 |
| Relative PSA | 0.40537 |
| PolarSurfaceArea | 109.49 |
| Druglikeness | 1.6528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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