Mrv1572004191601192D          

 17 19  0  0  0  0            999 V2000
    1.1655   -2.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799   -2.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -2.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799   -1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9277    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0876    0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2434    0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -1.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    1.7443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033   -0.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9277   -0.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    0.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.4116    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 13  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004370

> <DATABASE_NAME>
chemdb

> <SMILES>
C1CN2CCO[Si](O1)(OCC2)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H17NO3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h1-5H,6-11H2

> <INCHI_KEY>
IJOIPPSHQCEBDH-UHFFFAOYSA-N

> <FORMULA>
C12H17NO3Si

> <MOLECULAR_WEIGHT>
251.357

> <EXACT_MASS>
251.097769946

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
25.396305319639737

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
1.8457999999999992

> <ALOGPS_LOGS>
-1.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.423055117834719

> <JCHEM_POLAR_SURFACE_AREA>
30.930000000000003

> <JCHEM_REFRACTIVITY>
60.696100000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.12e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenylsilatrane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Phenylsilatrane

> <CAS>
2097-19-0

$$$$