Mrv1572004221603492D          

 10 11  0  0  0  0            999 V2000
    2.7686    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015017

> <DATABASE_NAME>
chemdb

> <SMILES>
CCC12COCN1COC2

> <INCHI_IDENTIFIER>
InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3

> <INCHI_KEY>
ZRCMGIXRGFOXNT-UHFFFAOYSA-N

> <FORMULA>
C7H13NO2

> <MOLECULAR_WEIGHT>
143.186

> <EXACT_MASS>
143.094628663

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
14.999367182939718

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7a-ethyl-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole

> <ALOGPS_LOGP>
-0.25

> <JCHEM_LOGP>
0.8362365803333331

> <ALOGPS_LOGS>
0.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.815203786721031

> <JCHEM_POLAR_SURFACE_AREA>
21.700000000000003

> <JCHEM_REFRACTIVITY>
36.5885

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.66e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7a-ethyl-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

> <JCHEM_VEBER_RULE>
1

> <NAME>
1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-

> <CAS>
7747-35-5

> <SYNONYMS>
5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane; 7a-ethyl-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole

$$$$