[(Z)-pyridin-2-ylmethylideneamino] benzoate
Formula:C13H10N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-pyridin-2-ylmethylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-pyridin-2-ylmethylideneamino] benzoate |
| MolecularFormula | C13H10N2O2 |
| Smiles | O=C(c1ccccc1)O/N=C\c1ncccc1 |
| InChI | InChI=1S/C13H10N2O2/c16-13(11-6-2-1-3-7-11)17-15-10-12-8-4-5-9-14-12/h1-10H |
| InChIK | WSKSZUDWBRUKDV-UHFFFAOYSA-N |
| TotalMolweight | 226.234 |
| Molweight | 226.234 |
| MonoisotopicMass | 226.074228 |
| CLogP | 2.9712 |
| CLogS | -3 |
| H Acceptors | 4 |
| TotalSurfaceArea | 184.29 |
| Relative PSA | 0.247 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -3.3892 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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