1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzimidazol-2-amine
Formula:C15H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzimidazol-2-amine is a drug-like molecule.
| MolName | 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzimidazol-2-amine |
| MolecularFormula | C15H12N4O2 |
| Smiles | Nc1nc(cccc2)c2n1/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H12N4O2/c16-15-18-11-3-1-2-4-12(11)19(15)17-8-10-5-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H2,16,18) |
| InChIK | LSUDLYVQHRSJJB-UHFFFAOYSA-N |
| TotalMolweight | 280.286 |
| Molweight | 280.286 |
| MonoisotopicMass | 280.096026 |
| CLogP | 2.8616 |
| CLogS | -6.629 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 209.12 |
| Relative PSA | 0.30901 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 3.0097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzimidazol-2-amine | 2 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]benzimidazol-2-amine
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