Chemical Name - [3-(Cyclohexylamino)-2-Hydroxy-1-Propane Sulphonic Acid]
Mol Weight - 237.319
Smiles - OC(CNC1CCCCC1)CS(O)(=O)=O
Mol Weight - 237.319
Smiles - OC(CNC1CCCCC1)CS(O)(=O)=O
| Property Value | |
| Mol Name | [3-(Cyclohexylamino)-2-Hydroxy-1-Propane Sulphonic Acid] |
| Molweight | 237.319 |
| Monoisotopic Mass | 237.103479 |
| Clogp | -2.6989 |
| Clogs | -1.138 |
| H Acceptors | 5 |
| H Donors | 3 |
| Total Surface Area | 174.06 |
| Relative Psa | 0.38056 |
| Polar Surface Area | 95.01 |
| Druglikeness | -8.703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.65218 |
| Molecular Complexity | 0.48589 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Stereo Centers | 1 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 13 |
| Symmetric Atoms | 3 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(CNC1CCCCC1)CS(O)(=O)=O |
| InChIKey | InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14) |
| InChI | INEWUCPYEUEQTN-UHFFFAOYSA-N |
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