Mrv1652306031606322D          

 22 24  0  0  0  0            999 V2000
   -4.1801    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6091    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6091    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235    3.6509    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.6509    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637   -1.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387   -1.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.0616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    1.1759    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
 12  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 21 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 22 16  1  0  0  0  0
M  RAD  1  22   3
M  END
> <DATABASE_ID>
CHEM043031

> <DATABASE_NAME>
chemdb

> <INCHI_IDENTIFIER>
InChI=1S/C16H13F2N3Si/c17-14-5-1-12(2-6-14)16(13-3-7-15(18)8-4-13)22-11-21-9-19-20-10-21/h1-10,16H,11H2

> <INCHI_KEY>
RGLIERASAJGROG-UHFFFAOYSA-N

> <FORMULA>
C16H13F2N3Si

> <MOLECULAR_WEIGHT>
313.383

> <EXACT_MASS>
313.084680292

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
29.33188854995557

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[bis(4-fluorophenyl)methyl][(4H-1,2,4-triazol-4-yl)methyl]silanylidene

> <JCHEM_LOGP>
2.8019

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.2660125165630123

> <JCHEM_POLAR_SURFACE_AREA>
30.71

> <JCHEM_REFRACTIVITY>
77.82539999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[bis(4-fluorophenyl)methyl](1,2,4-triazol-4-ylmethyl)silanylidene

> <JCHEM_VEBER_RULE>
1

> <NAME>
4H-1,2,4-Triazole, 4-[[bis(4-fluorophenyl)methylsilyl]methyl]-

> <CAS>
101377-47-3

$$$$