N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
Formula:C16H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C16H14N4O2 |
| Smiles | C1Oc(ccc(/C=N\Nc2nc(cccc3)c3[nH]2)c2)c2OC1 |
| InChI | InChI=1S/C16H14N4O2/c1-2-4-13-12(3-1)18-16(19-13)20-17-10-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H2,18,19,20) |
| InChIK | JJUQDPFYFUJRRH-UHFFFAOYSA-N |
| TotalMolweight | 294.313 |
| Molweight | 294.313 |
| MonoisotopicMass | 294.111676 |
| CLogP | 4.7888 |
| CLogS | -3.813 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 226.19 |
| Relative PSA | 0.30032 |
| PolarSurfaceArea | 71.53 |
| Druglikeness | -4.2764 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
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