1,2,3,4-Tetrahydro-1-nonylnaphthalene
PubChem CID: 583060
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| Compound Synonyms | 1,2,3,4-Tetrahydro-1-nonylnaphthalene, 33425-49-9, nonyltetralin, Naphthalene, 1,2,3,4-tetrahydro-1-nonyl-, QMOFHSNOIHJCKA-UHFFFAOYSA-N, DTXSID001288607, 1-Nonyl-1,2,3,4-tetrahydronaphthalene #, DB-259071 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | CCCCCCCCCCCCCcc6cccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Tetralins |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-nonyl-1,2,3,4-tetrahydronaphthalene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 8.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H30 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCCC2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMOFHSNOIHJCKA-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.6842105263157895 |
| Logs | -7.014 |
| Rotatable Bond Count | 8.0 |
| Logd | 5.185 |
| Synonyms | 1,2,3,4-tetrahydro-1-nonylnaphthalene |
| Esol Class | Poorly soluble |
| Compound Name | 1,2,3,4-Tetrahydro-1-nonylnaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 258.399 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.162868010526316 |
| Inchi | InChI=1S/C19H30/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h9-10,13,16-17H,2-8,11-12,14-15H2,1H3 |
| Smiles | CCCCCCCCCC1CCCC2=CC=CC=C12 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all