4-[[(Z)-3-carboxyprop-2-enoyl]amino]benzoic acid
Formula:C11H9NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(Z)-3-carboxyprop-2-enoyl]amino]benzoic acid is a drug-like molecule.
| MolName | 4-[[(Z)-3-carboxyprop-2-enoyl]amino]benzoic acid |
| MolecularFormula | C11H9NO5 |
| Smiles | OC(/C=C\C(Nc(cc1)ccc1C(O)=O)=O)=O |
| InChI | InChI=1S/C11H9NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17) |
| InChIK | KDCFOKATFSLHQS-UHFFFAOYSA-N |
| TotalMolweight | 235.194 |
| Molweight | 235.194 |
| MonoisotopicMass | 235.048074 |
| CLogP | 0.2287 |
| CLogS | -1.758 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 177.17 |
| Relative PSA | 0.43337 |
| PolarSurfaceArea | 103.7 |
| Druglikeness | 1.1378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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