CID 5150539
PubChem CID: 5150539
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C7H7- |
| Prediction Swissadme | 0.0 |
| Inchi Key | JDQJILLTHLRRAX-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.364 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.682 |
| Compound Name | CID 5150539 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 91.0548 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 91.0548 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 91.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7592103142857143 |
| Inchi | InChI=1S/C7H7/c1-7-5-3-2-4-6-7/h2-3,5-6H,1H3/q-1 |
| Smiles | CC1=CC=C[C-]=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients