Mrv1572004191603172D          

 12 12  0  0  0  0            999 V2000
   -0.2822   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  8  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
M  RAD  1  12   2
M  END
> <DATABASE_ID>
CHEM011569

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)CC(=O)CC(C)(C)N1[O]

> <INCHI_IDENTIFIER>
InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3

> <INCHI_KEY>
WSGDRFHJFJRSFY-UHFFFAOYSA-N

> <FORMULA>
C9H16NO2

> <MOLECULAR_WEIGHT>
170.232

> <EXACT_MASS>
170.118103759

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
18.49143758491042

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxidanyl

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
0.8875258246666666

> <ALOGPS_LOGS>
0.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.38704398355716

> <JCHEM_PKA_STRONGEST_BASIC>
-5.859561779229422

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
45.9257

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.99e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2,6,6-tetramethyl-4-oxopiperidin-1-yloxidanyl

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-Piperidinyloxy, 2,2,6,6-Tetramethyl-4-Oxo-

> <CAS>
2896-70-0

> <SYNONYMS>
(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxidanyl; (2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl; 2,2,6,6-tetramethyl-4-oxopiperidinooxy

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