N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-benzimidazol-2-amine
Formula:C18H14N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C18H14N4 |
| Smiles | C(c1cccc2ccccc12)=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C18H14N4/c1-2-9-15-13(6-1)7-5-8-14(15)12-19-22-18-20-16-10-3-4-11-17(16)21-18/h1-12H,(H2,20,21,22) |
| InChIK | WOGIECVBFOBKHK-UHFFFAOYSA-N |
| TotalMolweight | 286.337 |
| Molweight | 286.337 |
| MonoisotopicMass | 286.121846 |
| CLogP | 6.0044 |
| CLogS | -5.237 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 226.77 |
| Relative PSA | 0.21136 |
| PolarSurfaceArea | 53.07 |
| Druglikeness | 3.2659 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-benzimidazol-2-amine
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