3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenol
Formula:C14H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenol |
| MolecularFormula | C14H12N4O |
| Smiles | Oc1cc(/C=N\Nc2nc(cccc3)c3[nH]2)ccc1 |
| InChI | InChI=1S/C14H12N4O/c19-11-5-3-4-10(8-11)9-15-18-14-16-12-6-1-2-7-13(12)17-14/h1-9,19H,(H2,16,17,18) |
| InChIK | NQBDTCVXSVQPSR-UHFFFAOYSA-N |
| TotalMolweight | 252.276 |
| Molweight | 252.276 |
| MonoisotopicMass | 252.101111 |
| CLogP | 4.4643 |
| CLogS | -3.335 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 198.52 |
| Relative PSA | 0.30742 |
| PolarSurfaceArea | 73.3 |
| Druglikeness | 3.0725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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