Mrv0541 02231215052D          

  3  2  0  0  0  0            999 V2000
    2.0930   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00898

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ethanol

> <SYNONYMS>
Absolute Alcohol; Absolute Ethanol; Alcohol; Alcohol Anhydrous; Alcohol, Dehydrated; Alcohol, Diluted; Alcool Ethylique; Alcool Etilico; Alkohol; Alkoholu Etylowego; Aminoethanol; Beta-Aminoethanol; Beta-Aminoethyl Alcohol; Beta-Ethanolamine; Beta-Hydroxyethylamine; Caswell No. 426; Dehydrated Ethanol; Denatured Alcohol; Denatured Ethanol; Etanolo; Ethanol 200 Proof; Ethanol Anhydrous; Ethanol Extra Pure; Ethyl Alcohol; Ethyl Alcohol Anhydrous; Ethyl Alcohol, Anhydrous; Ethyl Alcohol, Denatured; Ethyl Hydrate; Ethyl Hydroxide; Ethylol; Ethylolamine; HSDB 531; Methylcarbinol; USAF EK-1597

> <BRANDS>
Aethanol; Aethylalkohol; Alcare Hand Degermer; Algrain; Anhydrol; Colamine; Denatured Alcohol Cd-10; Denatured Alcohol Cd-5; Denatured Alcohol Cd-5a; Denatured Alcohol Sd-1; Denatured Alcohol Sd-13a; Denatured Alcohol Sd-17; Denatured Alcohol Sd-23a; Denatured Alcohol Sd-28; Denatured Alcohol Sd-30; Denatured Alcohol Sd-39b; Denatured Alcohol Sd-39c; Denatured Alcohol Sd-3a; Denatured Alcohol Sd-40m; Ethanol Absolute; Ethanol Absolute Bp; Ethanol, Silent Spirit; Ethyl Alcohol & Water, 10%; Ethyl Alcohol & Water, 20%; Ethyl Alcohol & Water, 30%; Ethyl Alcohol & Water, 40%; Ethyl Alcohol & Water, 5%; Ethyl Alcohol & Water, 50%; Ethyl Alcohol & Water, 60%; Ethyl Alcohol & Water, 70%; Ethyl Alcohol & Water, 80%; Ethyl Alcohol & Water, 95%; Ethyl Alcohol & Water, 96%; Glycinol; Jaysol; Jaysol S; Methylated Spirit Mineralised; Pyro; Reagent Alcohol; Spirit; Synasol; Tecsol; Tecsol C; Thanol; Thiofaco M-50

> <CHEMICAL_FORMULA>
C2H6O

> <MOLECULAR_WEIGHT>
46.0684

> <EXACT_MASS>
46.041864814

> <IUPAC_NAME>
ethanol

> <INCHI_IDENTIFIER>
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

> <INCHI_KEY>
InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N

> <SMILES>
CCO

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_DONOR_COUNT>
1

> <ALOGPS_LOGP>
-0.4

> <JCHEM_LOGP>
-0.16

> <ALOGPS_LOGS>
1.1

> <JCHEM_POLARIZABILITY>
5.3

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
13.01

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <ALOGPS_SOLUBILITY>
5.79e+02 g/l

$$$$