(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
PubChem CID: 101251436
Connections displayed (default: 10).
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| Topological Polar Surface Area | 41.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.2 |
| Molecular Formula | C16H24N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SODGYLLKKFRBQO-QHSOUUPTSA-N |
| Fcsp3 | 0.8125 |
| Logs | -1.675 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.146 |
| Compound Name | (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4308621999999995 |
| Inchi | InChI=1S/C16H24N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h10-12,17H,2-9H2,1H3,(H,18,19)/t10-,11-,12-,16+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@]4(C1)[C@@H]2CCCN4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients