(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID: 97053228
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C8H10N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RMVNOXTYYNGKFC-LURJTMIESA-N |
| Fcsp3 | 0.5 |
| Logs | -0.523 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.908 |
| Compound Name | (5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4465493333333328 |
| Inchi | InChI=1S/C8H10N2O2/c11-8(12)6-2-1-3-7-9-4-5-10(6)7/h4-6H,1-3H2,(H,11,12)/t6-/m0/s1 |
| Smiles | C1C[C@H](N2C=CN=C2C1)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maytenus Mossambicensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients