(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
PubChem CID: 101477400
Connections displayed (default: 10).
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| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Molecular Formula | C10H20N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NWDFWCXKIDTJBA-HTQZYQBOSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.208 |
| Rotatable Bond Count | 0.0 |
| Logd | -2.289 |
| Compound Name | (3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.159 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.159 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3860352 |
| Inchi | InChI=1S/C10H20N4O2/c11-7-3-1-5-13-10(16)8(12)4-2-6-14-9(7)15/h7-8H,1-6,11-12H2,(H,13,16)(H,14,15)/t7-,8-/m1/s1 |
| Smiles | C1C[C@H](C(=O)NCCC[C@H](C(=O)NC1)N)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dacrycarpus Imbricatus (Plant) Rel Props:Source_db:cmaup_ingredients