(5R,7R)-3-(trifluoromethyl)adamantan-1-amine
Formula:C11H16NF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5R,7R)-3-(trifluoromethyl)adamantan-1-amine is a drug-like molecule.
| MolName | (5R,7R)-3-(trifluoromethyl)adamantan-1-amine |
| MolecularFormula | C11H16NF3 |
| Smiles | NC(C[C@H](C1)C2)(C[C@H]1C1)CC12C(F)(F)F |
| InChI | InChI=1S/C11H16F3N/c12-11(13,14)9-2-7-1-8(3-9)5-10(15,4-7)6-9/h7-8H,1-6,15H2/t7-,8+,9?,10? |
| InChIK | HRSPHBYURWVDMU-BQKDNTBBSA-N |
| TotalMolweight | 219.249 |
| Molweight | 219.249 |
| MonoisotopicMass | 219.123483 |
| CLogP | 2.1374 |
| CLogS | -3.505 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 139.36 |
| Relative PSA | 0.10957 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -8.2934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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