1,4-Naphthalenediol
PubChem CID: 11305
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| Compound Synonyms | 1,4-Dihydroxynaphthalene, Naphthalene-1,4-diol, 571-60-8, 1,4-NAPHTHALENEDIOL, 1,4-Naphthohydroquinone, Hydronaphthoquinone, Naphthohydroquinone, 1,4-Naphthoquinol, alpha-Naphthoquinhydrone, CCRIS 7897, EINECS 209-336-4, AML1P6T42C, BRN 1307689, CHEBI:34063, C10H8O2, alpha-Naphthohydroquinone, MFCD00003977, 1,4-Dihydroxy-naphthalene, CCRIS-7897, CHEMBL206816, NAPHTHALENEDIOL, 1,4-, DTXSID5060350, .ALPHA.-NAPHTHOQUINHYDRONE, 4-06-00-06545 (Beilstein Handbook Reference), UNII-AML1P6T42C, naphthohydroquinones, 1,4-Naphththalenediol, 1,4-Naphthalene diol, napthalene- 1,4-diol, Naphthalenediol-(1,4), 4-Hydroxy-1-naphthalenyloxy, SCHEMBL29638, p-Naphthohydroquinone (alpha), DTXCID0042165, CHEBI:51475, 1 pound not4-Dihydroxynaphthalene, DTXSID501310805, BDBM50303901, AKOS009157279, AS-10608, CS-0197295, D0589, NS00033653, 1,4-Dihydroxynaphthalene, analytical standard, EN300-54730, F18086, A831334, 1,4-Dihydroxynaphthalene, technical, >=90% (HPLC), Q27115786, Z815299402, InChI=1/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12, 209-336-4, 35199-33-8 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14902, P28776, P48776 |
| Iupac Name | naphthalene-1,4-diol |
| Prediction Hob | 0.0 |
| Target Id | NPT1078 |
| Xlogp | 1.8 |
| Molecular Formula | C10H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PCILLCXFKWDRMK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.625 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.322 |
| Compound Name | 1,4-Naphthalenediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 160.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6467330666666666 |
| Inchi | InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H |
| Smiles | C1=CC=C2C(=C1)C(=CC=C2O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Drosera Peltata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all