N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine
Formula:C13H10N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C13H10N4O4 |
| Smiles | [O-][N+](c1c(/C=N\Nc2ncccc2)cc2OCOc2c1)=O |
| InChI | InChI=1S/C13H10N4O4/c18-17(19)10-6-12-11(20-8-21-12)5-9(10)7-15-16-13-3-1-2-4-14-13/h1-7H,8H2,(H,14,16) |
| InChIK | OAXAAYAJDGOPGI-UHFFFAOYSA-N |
| TotalMolweight | 286.246 |
| Molweight | 286.246 |
| MonoisotopicMass | 286.070206 |
| CLogP | 3.2108 |
| CLogS | -4.05 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 211.93 |
| Relative PSA | 0.39806 |
| PolarSurfaceArea | 101.56 |
| Druglikeness | -3.3425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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