N-[(Z)-quinolin-8-ylmethylideneamino]-1H-benzimidazol-2-amine
Formula:C17H13N5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-quinolin-8-ylmethylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-quinolin-8-ylmethylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C17H13N5 |
| Smiles | C(c1c2ncccc2ccc1)=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C17H13N5/c1-2-9-15-14(8-1)20-17(21-15)22-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11H,(H2,20,21,22) |
| InChIK | LDZZALGJYHLYFN-UHFFFAOYSA-N |
| TotalMolweight | 287.325 |
| Molweight | 287.325 |
| MonoisotopicMass | 287.117095 |
| CLogP | 5.126 |
| CLogS | -4.337 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 225.53 |
| Relative PSA | 0.26116 |
| PolarSurfaceArea | 65.96 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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