(1S,2R)-2-(hexylcarbamoyl)cyclohexane-1-carboxylic acid
Formula:C14H25NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2R)-2-(hexylcarbamoyl)cyclohexane-1-carboxylic acid is a drug-like molecule.
| MolName | (1S,2R)-2-(hexylcarbamoyl)cyclohexane-1-carboxylic acid |
| MolecularFormula | C14H25NO3 |
| Smiles | CCCCCCNC([C@H](CCCC1)[C@H]1C(O)=O)=O |
| InChI | InChI=1S/C14H25NO3/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)/t11-,12+/m1/s1 |
| InChIK | RXTMILRUDMNUMR-NEPJUHHUSA-N |
| TotalMolweight | 255.356 |
| Molweight | 255.356 |
| MonoisotopicMass | 255.183444 |
| CLogP | 2.2156 |
| CLogS | -2.792 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 214.41 |
| Relative PSA | 0.23618 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -11.285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 13 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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