Mrv0541 02231219462D          

 14 15  0  0  1  0            999 V2000
   16.4736   -9.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4736  -10.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1880  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9024  -10.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9024   -9.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1880   -9.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6170  -11.1926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3314  -10.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3314   -9.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6170   -9.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6170  -12.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0459  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7591  -11.1926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7591   -9.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  2 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0003626

> <DATABASE_NAME>
bmdb

> <SMILES>
C[C@H]1N(C)CCC2=CC(O)=C(O)C=C12

> <INCHI_IDENTIFIER>
InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m1/s1

> <INCHI_KEY>
RKMGOUZXGHZLBJ-SSDOTTSWSA-N

> <FORMULA>
C11H15NO2

> <MOLECULAR_WEIGHT>
193.2423

> <EXACT_MASS>
193.110278729

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
21.35060997431016

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

> <ALOGPS_LOGP>
1.23

> <JCHEM_LOGP>
1.58527630936146

> <ALOGPS_LOGS>
-0.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.824631679532871

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.9195382055972

> <JCHEM_PKA_STRONGEST_BASIC>
10.238325629387317

> <JCHEM_POLAR_SURFACE_AREA>
43.7

> <JCHEM_REFRACTIVITY>
56.2909

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.19e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-methyl-(R)-salsolinol

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0003626

> <GENERIC_NAME>
(R)-N-Methylsalsolinol

> <SYNONYMS>
N-Methyl-(R)-salsolinol

$$$$