5,7-Dimethyl-1H-indazole
PubChem CID: 589751
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| Compound Synonyms | 5,7-Dimethyl-1H-indazole, 43067-41-0, 1H-Indazole, 5,7-dimethyl-, 5,7-dimethyl-2H-indazole, 5,7-Dimethyl-1H-indazole #, SCHEMBL5771889, DTXSID40343443, ALBB-006339, STK503847, AKOS000265706, LS-02233, DB-070392, CS-0314041, H24047 |
|---|---|
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethyl-1H-indazole |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C9H10N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHRWRRDBAJITLR-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.594 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.802 |
| Compound Name | 5,7-Dimethyl-1H-indazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 146.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.788251145454545 |
| Inchi | InChI=1S/C9H10N2/c1-6-3-7(2)9-8(4-6)5-10-11-9/h3-5H,1-2H3,(H,10,11) |
| Smiles | CC1=CC(=C2C(=C1)C=NN2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients