N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C17H12N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C17H12N5Cl |
| Smiles | Clc1nc2ccccc2cc1/C=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C17H12ClN5/c18-16-12(9-11-5-1-2-6-13(11)20-16)10-19-23-17-21-14-7-3-4-8-15(14)22-17/h1-10H,(H2,21,22,23) |
| InChIK | WDHRQCWTBYKJOT-UHFFFAOYSA-N |
| TotalMolweight | 321.77 |
| Molweight | 321.77 |
| MonoisotopicMass | 321.078122 |
| CLogP | 5.8294 |
| CLogS | -4.836 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.95 |
| Relative PSA | 0.24445 |
| PolarSurfaceArea | 65.96 |
| Druglikeness | 3.2477 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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