CID 10820744
PubChem CID: 10820744
Connections displayed (default: 10).
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| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-benzodioxole-5-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C8H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SATCULPHIDQDRE-DOMIDYPGSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.277 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.379 |
| Compound Name | CID 10820744 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.035 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7823128639743633 |
| Inchi | InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2/i4+2 |
| Smiles | C1OC2=C(O1)C=C(C=C2)[14CH]=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Galium Verum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gymnadenia Conopsea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Source_db:cmaup_ingredients