N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,5-dichloropyridin-2-amine
Formula:C13H9N3O2Cl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,5-dichloropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,5-dichloropyridin-2-amine |
| MolecularFormula | C13H9N3O2Cl2 |
| Smiles | Clc1cc(Cl)c(N/N=C\c(cc2)cc3c2OCO3)nc1 |
| InChI | InChI=1S/C13H9Cl2N3O2/c14-9-4-10(15)13(16-6-9)18-17-5-8-1-2-11-12(3-8)20-7-19-11/h1-6H,7H2,(H,16,18) |
| InChIK | BFEIWXQWCVKICB-UHFFFAOYSA-N |
| TotalMolweight | 310.139 |
| Molweight | 310.139 |
| MonoisotopicMass | 309.007181 |
| CLogP | 5.5148 |
| CLogS | -5.062 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.1 |
| Relative PSA | 0.24619 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | 1.9387 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,5-dichloropyridin-2-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3,5-dichloropyridin-2-amine
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