Mrv1652309272007472D          

 10 11  0  0  0  0            999 V2000
 9996.468210000.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.305110000.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.236210000.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.7316 9999.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.040710001.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9067 9999.5413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.554210000.9853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.382710000.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.292010001.3544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.042110000.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  2  1  1  0  0  0
  6  2  1  1  0  0  0
  3 10  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM020476

> <DATABASE_NAME>
chemdb

> <SMILES>
CN1[C@H]2CC[C@@H]1C[C@H](O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+

> <INCHI_KEY>
CYHOMWAPJJPNMW-JIGDXULJSA-N

> <FORMULA>
C8H15NO

> <MOLECULAR_WEIGHT>
141.2108

> <EXACT_MASS>
141.115364107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
16.032836983327023

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <ALOGPS_LOGP>
0.86

> <JCHEM_LOGP>
0.03356066499999985

> <ALOGPS_LOGS>
0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.160811554696018

> <JCHEM_PKA_STRONGEST_BASIC>
9.695886905323272

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
40.5938

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.45e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pseudotropine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Tropine

> <CAS>
120-29-6

> <TYPES>
PFAS; Phytotoxin

$$$$