Didox
PubChem CID: 3045
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| Compound Synonyms | Didox, 69839-83-4, N,3,4-Trihydroxybenzamide, 3,4-Dihydroxybenzohydroxamic acid, NSC-324360, Benzamide, N,3,4-trihydroxy-, DIDO, 3,4-Dihydroxyphenylhydroxamic acid, VF 147, CCRIS 7909, NSC 324360, UNII-L106XFV0RQ, N-3,4-Tridhydroxybenzamide, 3,4,N-Trihydroxy-benzamide, BRN 2096682, NSC324360, L106XFV0RQ, DTXSID90220134, N-3,4-TRIDHYDROXY-BENZAMIDE, Didox?, Benzamide,3,4-trihydroxy-, SCHEMBL171446, CHEMBL367788, Didox, >=98% (HPLC), SCHEMBL18346609, SCHEMBL18732059, EX-A8014G, DTXCID90142625, CHEBI:184074, GLXC-04385, BCP16846, AKOS006278180, CS-5292, DB12948, 3,4-dihydroxybenzenecarbohydroxamic acid, AS-55818, HY-19387, NCI60_002815, DB-125554, NS00069498, C76222, BRD-K94146583-001-01-6, Q27282568 |
|---|---|
| Topological Polar Surface Area | 89.8 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,3,4-trihydroxybenzamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C7H7NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QJMCKEPOKRERLN-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.196 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.113 |
| Compound Name | Didox |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 169.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.038 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 169.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0809431999999997 |
| Inchi | InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11) |
| Smiles | C1=CC(=C(C=C1C(=O)NO)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients