1,2,3,3a,3b,4,5,6,7,7a,9,10,11,12-Tetradecahydrobenzo[b]fluoranthene
PubChem CID: 622319
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| Compound Synonyms | 1,2,3,3a,3b,4,5,6,7,7a,9,10,11,12-Tetradecahydrobenzo[b]fluoranthene, SLLFJULUXKBADI-UHFFFAOYSA-N, 1,2,3,3a,3b,4,5,6,7,7a,9,10,11,12-Tetradecahydrobenzo[e]acephenanthrylene # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C3CCCCC3C3CCCC2C31 |
| Deep Smiles | CCCCCC6)CCCCcc6c9ccc6CCCC6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CC1C3CCCCC3C3CCCC2C31 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),12,18-triene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 6.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H26 |
| Scaffold Graph Node Bond Level | c1c2c(c3c4c1C1CCCCC1C4CCC3)CCCC2 |
| Inchi Key | SLLFJULUXKBADI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2,3,3a,3b,4,5,6,7,7a,9,10,11,12-tetradecahydrobenzo[b]fluoranthene |
| Esol Class | Moderately soluble |
| Compound Name | 1,2,3,3a,3b,4,5,6,7,7a,9,10,11,12-Tetradecahydrobenzo[b]fluoranthene |
| Exact Mass | 266.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 266.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H26/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h12,15-16,18H,1-11H2 |
| Smiles | C1CCC2C(C1)C3CCCC4=C5CCCCC5=CC2=C34 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965