(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one
PubChem CID: 122181684
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| Compound Synonyms | CHEMBL3590535 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 43.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | LICNWLVMUWTBPF-QHSBEEBCSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.168 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 262.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.7185885999999995 |
| Inchi | InChI=1S/C15H22N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h1,5,11-12,14,19H,2-4,6-10H2/t11-,12-,14-,15-/m1/s1 |
| Smiles | C1C[C@@H]2[C@H]3C=CCC(=O)N3C[C@]4([C@@H]2N(C1)CCC4)O |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H22N2O2 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients