1,2-Dideuterio-3-methylindole
PubChem CID: 11819121
Connections displayed (default: 10).
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| Topological Polar Surface Area | 15.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dideuterio-3-methylindole |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C9H9N |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZFRKQXVRDFCRJG-MOEATMQCSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.329 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.585 |
| Compound Name | 1,2-Dideuterio-3-methylindole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 133.086 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 133.086 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 133.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7870792620472 |
| Inchi | InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3/i6D/hD |
| Smiles | [2H]C1=C(C2=CC=CC=C2N1[2H])C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Source_db:cmaup_ingredients