4-[[(E)-3-carboxyprop-2-enoyl]amino]-2-hydroxybenzoic acid
Formula:C11H9NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(E)-3-carboxyprop-2-enoyl]amino]-2-hydroxybenzoic acid is a drug-like molecule.
| MolName | 4-[[(E)-3-carboxyprop-2-enoyl]amino]-2-hydroxybenzoic acid |
| MolecularFormula | C11H9NO6 |
| Smiles | OC(/C=C/C(Nc(cc1)cc(O)c1C(O)=O)=O)=O |
| InChI | InChI=1S/C11H9NO6/c13-8-5-6(1-2-7(8)11(17)18)12-9(14)3-4-10(15)16/h1-5,13H,(H,12,14)(H,15,16)(H,17,18) |
| InChIK | ZTKZRWROSKMXNU-UHFFFAOYSA-N |
| TotalMolweight | 251.193 |
| Molweight | 251.193 |
| MonoisotopicMass | 251.042989 |
| CLogP | -0.117 |
| CLogS | -1.462 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 183.52 |
| Relative PSA | 0.48976 |
| PolarSurfaceArea | 123.93 |
| Druglikeness | 1.1378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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