3-Methyltricosanoic acid
PubChem CID: 5319795
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| Compound Synonyms | SCHEMBL3627996 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyltricosanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 11.3 |
| Molecular Formula | C24H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLBNWSYZPAYZIA-UHFFFAOYSA-N |
| Fcsp3 | 0.9583333333333334 |
| Logs | -6.822 |
| Rotatable Bond Count | 21.0 |
| Logd | 4.1 |
| Compound Name | 3-Methyltricosanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 368.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.8838052 |
| Inchi | InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2)22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26) |
| Smiles | CCCCCCCCCCCCCCCCCCCCC(C)CC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients