Dihydrodibenzoxepin
PubChem CID: 70194280
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| Compound Synonyms | dihydrodibenzoxepin, SCHEMBL7806949 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCCC1CCCCC12 |
| Deep Smiles | CC=CC=CC6)cccccc6C=CO%11 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzoxepines |
| Scaffold Graph Node Level | C1CCC2C(C1)CCOC1CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dihydrobenzo[d][1]benzoxepine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O |
| Scaffold Graph Node Bond Level | C1=CC2=C(CC1)c1ccccc1C=CO2 |
| Inchi Key | ADIKNYZEPZONQL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | dihydrodibenzoxepin |
| Esol Class | Soluble |
| Functional Groups | C1=COC2=C(cc1)CCC=C2 |
| Compound Name | Dihydrodibenzoxepin |
| Exact Mass | 196.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 196.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H12O/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-2,4-6,8-10H,3,7H2 |
| Smiles | C1CC2=C(C=C1)OC=CC3=CC=CC=C23 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Reference:ISBN:9780387706375