N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine
Formula:C13H10N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C13H10N3O2Cl |
| Smiles | Clc1c(/C=N\Nc2ncccc2)cc2OCOc2c1 |
| InChI | InChI=1S/C13H10ClN3O2/c14-10-6-12-11(18-8-19-12)5-9(10)7-16-17-13-3-1-2-4-15-13/h1-7H,8H2,(H,15,17) |
| InChIK | PUYBUQYOYMFDOZ-UHFFFAOYSA-N |
| TotalMolweight | 275.694 |
| Molweight | 275.694 |
| MonoisotopicMass | 275.046154 |
| CLogP | 4.9088 |
| CLogS | -4.326 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.68 |
| Relative PSA | 0.26483 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | 1.9387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine | 2 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off