3,4-Phenanthrenequinone
PubChem CID: 97313
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| Compound Synonyms | 3,4-Phenanthrenedione, 3,4-Phenanthrenequinone, 4733-11-3, phenanthrene-3,4-dione, T5W093U4IM, NSC-115100, UNII-T5W093U4IM, 5,6-PHENANTHRAQUINONE, PHENANTHRENE-5,6-DIONE, CHEMBL4213662, DTXSID20197108, NSC 115100, Benzonaphthalindion, NSC115100, SCHEMBL380656, DTXCID90119599, BDBM50458271, DB-217796 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | phenanthrene-3,4-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT166 |
| Xlogp | 2.7 |
| Molecular Formula | C14H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NKGGYWQZHFAHRK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.1 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.813 |
| Compound Name | 3,4-Phenanthrenequinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3196391999999997 |
| Inchi | InChI=1S/C14H8O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8H |
| Smiles | C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)C=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients