1,2,4-Tripropylbenzene
PubChem CID: 600221
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| Compound Synonyms | 1,2,4-Tripropylbenzene, Benzene, 1,2,4-tripropyl-, 1,2,4-tripropyl-benzene, NQLVMGZUKRNRQB-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4-tripropylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQLVMGZUKRNRQB-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -6.661 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.137 |
| Compound Name | 1,2,4-Tripropylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7492134 |
| Inchi | InChI=1S/C15H24/c1-4-7-13-10-11-14(8-5-2)15(12-13)9-6-3/h10-12H,4-9H2,1-3H3 |
| Smiles | CCCC1=CC(=C(C=C1)CCC)CCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients