10,11-Dihydro-dibenz[b,f]oxepin-2,4-diol
PubChem CID: 44572328
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| Compound Synonyms | CHEMBL474974, BDBM50479918, 10,11-Dihydro-dibenz[b,f]oxepin-2,4-diol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P79208, P05979 |
| Iupac Name | 5,6-dihydrobenzo[b][1]benzoxepine-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYFMLBQMCKMNJT-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.094 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.176 |
| Compound Name | 10,11-Dihydro-dibenz[b,f]oxepin-2,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6863843411764705 |
| Inchi | InChI=1S/C14H12O3/c15-11-7-10-6-5-9-3-1-2-4-13(9)17-14(10)12(16)8-11/h1-4,7-8,15-16H,5-6H2 |
| Smiles | C1CC2=C(C(=CC(=C2)O)O)OC3=CC=CC=C31 |
| 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