3-[[(E)-3-carboxylatoprop-2-enoyl]amino]benzoate
Formula:C11H7NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(E)-3-carboxylatoprop-2-enoyl]amino]benzoate is a drug-like molecule.
| MolName | 3-[[(E)-3-carboxylatoprop-2-enoyl]amino]benzoate |
| MolecularFormula | C11H7NO5 |
| Smiles | [O-]C(/C=C/C(Nc1cccc(C([O-])=O)c1)=O)=O |
| InChI | InChI=1S/C11H9NO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)/p-2 |
| InChIK | UXIAYWKXDXAWJB-UHFFFAOYSA-L |
| TotalMolweight | 233.179 |
| Molweight | 233.179 |
| MonoisotopicMass | 233.032424 |
| CLogP | -3.9233 |
| CLogS | -1.758 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 179.53 |
| Relative PSA | 0.44082 |
| PolarSurfaceArea | 109.36 |
| Druglikeness | -0.13705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| 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 | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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