N-[(Z)-2H-chromen-3-ylmethylideneamino]-1H-benzimidazol-2-amine
Formula:C17H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2H-chromen-3-ylmethylideneamino]-1H-benzimidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-2H-chromen-3-ylmethylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C17H14N4O |
| Smiles | C1Oc(cccc2)c2C=C1/C=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C17H14N4O/c1-4-8-16-13(5-1)9-12(11-22-16)10-18-21-17-19-14-6-2-3-7-15(14)20-17/h1-10H,11H2,(H2,19,20,21) |
| InChIK | ISIORDAWASXCTO-UHFFFAOYSA-N |
| TotalMolweight | 290.325 |
| Molweight | 290.325 |
| MonoisotopicMass | 290.116761 |
| CLogP | 4.5819 |
| CLogS | -3.911 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.14 |
| Relative PSA | 0.25504 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 3.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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