N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]quinolin-2-amine
Formula:C17H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]quinolin-2-amine |
| MolecularFormula | C17H13N3O2 |
| Smiles | C1Oc(cc(/C=N\Nc2nc3ccccc3cc2)cc2)c2O1 |
| InChI | InChI=1S/C17H13N3O2/c1-2-4-14-13(3-1)6-8-17(19-14)20-18-10-12-5-7-15-16(9-12)22-11-21-15/h1-10H,11H2,(H,19,20) |
| InChIK | MZMSTCBULXIQJK-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 5.6197 |
| CLogS | -5.091 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 222.86 |
| Relative PSA | 0.24204 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | 1.9109 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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