CID 57759067
PubChem CID: 57759067
Connections displayed (default: 10).
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| Topological Polar Surface Area | 34.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | True |
| Molecular Formula | C16H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KAVZTGQJXKEGOL-NTMALXAHSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 2.0 |
| Compound Name | CID 57759067 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.099 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 238.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.548839866666666 |
| Inchi | InChI=1S/C16H14O2/c1-10(2)8-9-12-11(3)15(17)13-6-4-5-7-14(13)16(12)18/h1,4-8H,9H2,2-3H3/b10-8- |
| Smiles | CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/[CH] |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients