(E)-4-[3-[(2-hydroxybenzoyl)amino]anilino]-4-oxobut-2-enoic acid
Formula:C17H14N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[3-[(2-hydroxybenzoyl)amino]anilino]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[3-[(2-hydroxybenzoyl)amino]anilino]-4-oxobut-2-enoic acid |
| MolecularFormula | C17H14N2O5 |
| Smiles | OC(/C=C/C(Nc1cccc(NC(c(cccc2)c2O)=O)c1)=O)=O |
| InChI | InChI=1S/C17H14N2O5/c20-14-7-2-1-6-13(14)17(24)19-12-5-3-4-11(10-12)18-15(21)8-9-16(22)23/h1-10,20H,(H,18,21)(H,19,24)(H,22,23) |
| InChIK | OCPJHUJTVSPFBE-UHFFFAOYSA-N |
| TotalMolweight | 326.307 |
| Molweight | 326.307 |
| MonoisotopicMass | 326.090273 |
| CLogP | 1.5454 |
| CLogS | -2.961 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 248.39 |
| Relative PSA | 0.35525 |
| PolarSurfaceArea | 115.73 |
| Druglikeness | 1.1378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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