CID 10396829
PubChem CID: 10396829
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 114.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenylacetonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C8H7N |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUSQOBVLVYHIEX-WGGUOBTBSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.405 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.461 |
| Compound Name | CID 10396829 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 119.061 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 119.061 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 119.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9888214336713332 |
| Inchi | InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2/i7+2 |
| Smiles | C1=CC=C(C=C1)C[14C]#N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients