N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C14H10N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C14H10N3O2F3 |
| Smiles | FC(c(cc1)cnc1N/N=C\c(cc1)cc2c1OCO2)(F)F |
| InChI | InChI=1S/C14H10F3N3O2/c15-14(16,17)10-2-4-13(18-7-10)20-19-6-9-1-3-11-12(5-9)22-8-21-11/h1-7H,8H2,(H,18,20) |
| InChIK | YMRGYNZVSPYVMA-UHFFFAOYSA-N |
| TotalMolweight | 309.246 |
| Molweight | 309.246 |
| MonoisotopicMass | 309.072511 |
| CLogP | 5.1511 |
| CLogS | -4.368 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 217.72 |
| Relative PSA | 0.24775 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | -5.2791 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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