(10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
PubChem CID: 5321931
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 26.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | MMXKVQSOWVEFOB-IHXHZNKUSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Compound Name | (10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.205 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.38 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.3814931999999995 |
| Inchi | InChI=1S/C15H26N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-15,18H,1-10H2/t11?,12?,13?,14-,15?/m0/s1 |
| Smiles | C1CCN2CC3CC([C@@H]2C1)CN4C3CC(CC4)O |
| Xlogp | 1.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H26N2O |
- 1. Outgoing r'ship
FOUND_INto/from Thermopsis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients