Mrv1652306031608132D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044415

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Si](O)(O)O

> <INCHI_IDENTIFIER>
InChI=1S/CH6O3Si/c1-5(2,3)4/h2-4H,1H3

> <INCHI_KEY>
ZJBHFQKJEBGFNL-UHFFFAOYSA-N

> <FORMULA>
CH6O3Si

> <MOLECULAR_WEIGHT>
94.141

> <EXACT_MASS>
94.008620588

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
7.400929186301312

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methylsilanetriol

> <ALOGPS_LOGP>
-0.94

> <JCHEM_LOGP>
-1.5518999999999994

> <ALOGPS_LOGS>
-0.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.99163842039955

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.751535956950509

> <JCHEM_PKA_STRONGEST_BASIC>
-4.448385335615467

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
13.019100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.93e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylsilanetriol

> <JCHEM_VEBER_RULE>
0

> <NAME>
methylsilanetriol

> <CAS>
2445-53-6

$$$$