Mrv1909 03072117492D          

 11 10  0  0  0  0            999 V2000
   -0.3306   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0594   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7687   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834   -0.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7687    0.6612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7260   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1642   -0.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642   -0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB16634

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCC(=O)NO

> <INCHI_IDENTIFIER>
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)

> <INCHI_KEY>
RGUVUPQQFXCJFC-UHFFFAOYSA-N

> <FORMULA>
C8H17NO2

> <MOLECULAR_WEIGHT>
159.229

> <EXACT_MASS>
159.125928791

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.012221413434498415

> <JCHEM_AVERAGE_POLARIZABILITY>
18.700283086972423

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-hydroxyoctanamide

> <JCHEM_LOGP>
1.8899091166666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.287179433139475

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.907538173029856

> <JCHEM_PKA_STRONGEST_BASIC>
-5.4628171718597525

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
43.8624

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB16634

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Caprylhydroxamic acid

> <SYNONYMS>
Caprylohydroxamic acid; N-Hydroxyoctanamide; Octanohydroxamic acid; Octanoylhydroxamic acid; Taselin

> <PRODUCTS>
Purus antibacterial wipes; SureWell Sanitizing Wipes

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