[NO NAME]
  Mrv0541 04171217142D          
Created with ChemWriter - http://chemwriter.com
 17 18  0  0  0  0            999 V2000
    1.6500    0.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -2.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    2.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647    2.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 16  7  1  0  0  0  0
 16  6  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB01355

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Hexobarbital

> <SYNONYMS>
5-(1-cyclohexen-1-yl)-1,5-dimethylbarbituric acid; Hexobarbitone; Methexenyl; Methylhexabital

> <BRANDS>
Barbidorm; Citopan; Cyclopal; Cyclopan; Evipal; Evipan; Noctivane; Sombucaps; Sombulex; Somnalert

> <CHEMICAL_FORMULA>
C12H16N2O3

> <MOLECULAR_WEIGHT>
236.267

> <EXACT_MASS>
236.116092388

> <IUPAC_NAME>
5-(cyclohex-1-en-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione

> <INCHI_IDENTIFIER>
InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)

> <INCHI_KEY>
InChIKey=UYXAWHWODHRRMR-UHFFFAOYSA-N

> <SMILES>
CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
1

> <ALOGPS_LOGP>
1.8

> <JCHEM_LOGP>
1.25

> <ALOGPS_LOGS>
-2.2

> <JCHEM_POLARIZABILITY>
24.14

> <JCHEM_POLAR_SURFACE_AREA>
66.48

> <JCHEM_REFRACTIVITY>
61.95

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <ALOGPS_SOLUBILITY>
1.51e+00 g/l

$$$$