Mrv0541 02241219122D          

  9 10  0  0  0  0            999 V2000
   -1.4234    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567    0.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856    0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234    0.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044526

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1CC2CCC(C1)N2

> <INCHI_IDENTIFIER>
InChI=1S/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2

> <INCHI_KEY>
YYMCYJLIYNNOMK-UHFFFAOYSA-N

> <FORMULA>
C7H13NO

> <MOLECULAR_WEIGHT>
127.1842

> <EXACT_MASS>
127.099714043

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
14.157266029917432

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-azabicyclo[3.2.1]octan-3-ol

> <ALOGPS_LOGP>
-0.06

> <JCHEM_LOGP>
-0.34948727233333343

> <ALOGPS_LOGS>
0.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.161619374157755

> <JCHEM_PKA_STRONGEST_BASIC>
10.718693516749084

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
35.299099999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.03e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-azabicyclo[3.2.1]octan-3-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
8-Azabicyclo[3.2.1]octan-3-ol, (3-endo)-

> <CAS>
538-09-0

$$$$