N-[(Z)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine
Formula:C17H12N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine |
| MolecularFormula | C17H12N4 |
| Smiles | C(c1ncccc1)=N\NC(c1ccc2)=Nc3c1c2ccc3 |
| InChI | InChI=1S/C17H12N4/c1-2-10-18-13(7-1)11-19-21-17-14-8-3-5-12-6-4-9-15(20-17)16(12)14/h1-11H,(H,20,21) |
| InChIK | DNFFPBKFHTVMKK-UHFFFAOYSA-N |
| TotalMolweight | 272.31 |
| Molweight | 272.31 |
| MonoisotopicMass | 272.106196 |
| CLogP | 3.1063 |
| CLogS | -4.688 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.07 |
| Relative PSA | 0.21432 |
| PolarSurfaceArea | 49.64 |
| Druglikeness | 2.6253 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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