Chemical Name - Cholestrol
Mol Weight - 386.661
Smiles - CC(C)CCC[C@@H](C)[C@@H](CC1)[C@@](C)(CC2)[C@@H]1[C@H]1[C@H]2[C@@](C)(CC[C@@H](C2)O)C2=CC1
Mol Weight - 386.661
Smiles - CC(C)CCC[C@@H](C)[C@@H](CC1)[C@@](C)(CC2)[C@@H]1[C@H]1[C@H]2[C@@](C)(CC[C@@H](C2)O)C2=CC1
| Property Value | |
| Mol Name | Cholestrol |
| Molweight | 386.661 |
| Monoisotopic Mass | 386.354865 |
| Clogp | 7.1825 |
| Clogs | -6.239 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 311.54 |
| Relative Psa | 0.042049 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.2904 |
| Molecular Complexity | 0.92172 |
| Fragments | 1 |
| Non H Atoms | 28 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Stereo Centers | 8 |
| Rotatable Bonds | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3 Atoms | 26 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)CCC[C@@H](C)[C@@H](CC1)[C@@](C)(CC2)[C@@H]1[C@H]1[C@H]2[C@@](C)(CC[C@@H](C2)O)C2=CC1 |
| InChIKey | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22-,23+,24+,25-,26+,27-/m1/s1 |
| InChI | HVYWMOMLDIMFJA-LZRBQCDVSA-N |
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1 - Cholestrol
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