Norcarane
PubChem CID: 9245
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| Compound Synonyms | Norcarane, Bicyclo[4.1.0]heptane, 286-08-8, 14214-86-9, Butanal, 2,3-dihydroxy-, NSC-143399, 2,3-Dihydroxybutyraldehyde, DTXSID10870493, WPHGSKGZRAQSGP-UHFFFAOYSA-N, NSC143399, AKOS015840955, DB-067952, Q680932 |
|---|---|
| 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 | C1CCC2CC2C1 |
| Deep Smiles | CCCCCC6)C3 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCC2CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bicyclo[4.1.0]heptane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12 |
| Scaffold Graph Node Bond Level | C1CCC2CC2C1 |
| Inchi Key | WPHGSKGZRAQSGP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | bicyclo[4.1.0]heptane |
| Esol Class | Soluble |
| Compound Name | Norcarane |
| Exact Mass | 96.0939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0939 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 96.17 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2 |
| Smiles | C1CCC2CC2C1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840