N-[(Z)-benzylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
Formula:C13H17N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine |
| MolecularFormula | C13H17N3 |
| Smiles | C(CC1)CCN=C1N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H17N3/c1-3-7-12(8-4-1)11-15-16-13-9-5-2-6-10-14-13/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,14,16) |
| InChIK | FRFFJCAHKQQBKI-UHFFFAOYSA-N |
| TotalMolweight | 215.299 |
| Molweight | 215.299 |
| MonoisotopicMass | 215.142247 |
| CLogP | 2.4836 |
| CLogS | -3.533 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 187.75 |
| Relative PSA | 0.18365 |
| PolarSurfaceArea | 36.75 |
| Druglikeness | -1.5047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine | 2 - N-[(Z)-benzylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
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