2,4,7-Trimethoxyphenanthrene
PubChem CID: 15693458
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| Compound Synonyms | SCHEMBL1974136 |
|---|---|
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,7-trimethoxyphenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMQKMUPVLZWRKF-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -5.97 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.734 |
| Compound Name | 2,4,7-Trimethoxyphenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.557734399999998 |
| Inchi | InChI=1S/C17H16O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h4-10H,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C=C(C=C3C=C2)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients