4-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzoic acid
Formula:C14H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]benzoic acid |
| MolecularFormula | C14H12N2O3 |
| Smiles | OC(c(cc1)ccc1/C(/Cc1ncccc1)=N\O)=O |
| InChI | InChI=1S/C14H12N2O3/c17-14(18)11-6-4-10(5-7-11)13(16-19)9-12-3-1-2-8-15-12/h1-8,19H,9H2,(H,17,18) |
| InChIK | HZMYKVHBWXEZHU-UHFFFAOYSA-N |
| TotalMolweight | 256.26 |
| Molweight | 256.26 |
| MonoisotopicMass | 256.084793 |
| CLogP | 2.1323 |
| CLogS | -3.052 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 198.96 |
| Relative PSA | 0.31021 |
| PolarSurfaceArea | 82.78 |
| Druglikeness | -0.88694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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