(9S)-9,10-dihydrophenanthrene-2,4,5,9-tetrol
PubChem CID: 118715112
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3338079 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9S)-9,10-dihydrophenanthrene-2,4,5,9-tetrol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Is Pains | False |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XRFGLLVZUBPGEJ-NSHDSACASA-N |
| Fcsp3 | 0.1428571428571428 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (9S)-9,10-dihydrophenanthrene-2,4,5,9-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.899758533333333 |
| Inchi | InChI=1S/C14H12O4/c15-8-4-7-5-11(17)9-2-1-3-10(16)14(9)13(7)12(18)6-8/h1-4,6,11,15-18H,5H2/t11-/m0/s1 |
| Smiles | C1[C@@H](C2=C(C(=CC=C2)O)C3=C1C=C(C=C3O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients