N-[(Z)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine
Formula:C17H12N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine |
| MolecularFormula | C17H12N4 |
| Smiles | C(c1cccnc1)=N\NC(c1ccc2)=Nc3c1c2ccc3 |
| InChI | InChI=1S/C17H12N4/c1-5-13-6-2-8-15-16(13)14(7-1)17(20-15)21-19-11-12-4-3-9-18-10-12/h1-11H,(H,20,21) |
| InChIK | JIMLXYXCMRNIKK-UHFFFAOYSA-N |
| TotalMolweight | 272.31 |
| Molweight | 272.31 |
| MonoisotopicMass | 272.106196 |
| CLogP | 3.0523 |
| CLogS | -4.664 |
| 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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