Murrayaquinone A
PubChem CID: 127481
Connections displayed (default: 10).
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| Compound Synonyms | Murrayaquinone A, 100108-66-5, 3-methyl-9H-carbazole-1,4-dione, Murrayachinon a, Murrayaquinone-A, CHEMBL396171, SCHEMBL5396418, DTXSID10142945, XJTABSPWPMYLQX-UHFFFAOYSA-N, NSC654274, NSC-654274, NCI60_018838, 1H-Carbazole-1,4(9H)-dione, 3-methyl-, 3-Methyl-1H-carbazole-1,4(9H)-dione # |
|---|---|
| Topological Polar Surface Area | 49.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-methyl-9H-carbazole-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C13H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XJTABSPWPMYLQX-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.264 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.233 |
| Compound Name | Murrayaquinone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 211.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0022139999999995 |
| Inchi | InChI=1S/C13H9NO2/c1-7-6-10(15)12-11(13(7)16)8-4-2-3-5-9(8)14-12/h2-6,14H,1H3 |
| Smiles | CC1=CC(=O)C2=C(C1=O)C3=CC=CC=C3N2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Euchrestifolia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Murraya Crenulata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Murraya Elongata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Murraya Microphylla (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: