N-[(Z)-naphthalen-1-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
Formula:C17H19N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine |
| MolecularFormula | C17H19N3 |
| Smiles | C(CC1)CCN=C1N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C17H19N3/c1-2-11-17(18-12-5-1)20-19-13-15-9-6-8-14-7-3-4-10-16(14)15/h3-4,6-10,13H,1-2,5,11-12H2,(H,18,20) |
| InChIK | PRZMVUUOCJPUOI-UHFFFAOYSA-N |
| TotalMolweight | 265.359 |
| Molweight | 265.359 |
| MonoisotopicMass | 265.157897 |
| CLogP | 3.678 |
| CLogS | -5.139 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 222.35 |
| Relative PSA | 0.15507 |
| PolarSurfaceArea | 36.75 |
| Druglikeness | -1.5047 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
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