10,11-Dihydro-4-methoxy-dibenz[b,f]oxepin-2-ol
PubChem CID: 44572329
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| Compound Synonyms | CHEMBL474975, BDBM50479916, 10,11-Dihydro-4-methoxy-dibenz[b,f]oxepin-2-ol |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P05979, P79208 |
| Iupac Name | 1-methoxy-5,6-dihydrobenzo[b][1]benzoxepin-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OZBWMOVXDLPRHR-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.955 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.343 |
| Compound Name | 10,11-Dihydro-4-methoxy-dibenz[b,f]oxepin-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8862321333333334 |
| Inchi | InChI=1S/C15H14O3/c1-17-14-9-12(16)8-11-7-6-10-4-2-3-5-13(10)18-15(11)14/h2-5,8-9,16H,6-7H2,1H3 |
| Smiles | COC1=CC(=CC2=C1OC3=CC=CC=C3CC2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all