Mrv1572003281622122D          

 33 35  0  0  0  0            999 V2000
    2.6383    0.8102    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.8758    1.5246    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.9238    2.0477    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.4633    0.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383    1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0741    0.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991   -1.3332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3806   -0.6693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3806   -1.9971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -0.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883    2.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5902    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363    2.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113    1.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758   -1.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0741   -1.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758   -2.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -2.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5902   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5902   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 28  2  0  0  0  0
  9 29  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044229

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(CC1=C(O)C(=CC(C)=C1)N1N=C2C=CC=CC2=N1)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3

> <INCHI_KEY>
HUVYTMDMDZRHBN-UHFFFAOYSA-N

> <FORMULA>
C24H39N3O3Si3

> <MOLECULAR_WEIGHT>
501.849

> <EXACT_MASS>
501.229921733

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
54.24305256456972

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,4,6,6-pentamethyl-3,5-dioxa-2,4,6-trisilaheptan-4-yl)propyl]phenol

> <ALOGPS_LOGP>
6.50

> <JCHEM_LOGP>
7.251000000000001

> <ALOGPS_LOGS>
-5.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.955166134224987

> <JCHEM_PKA_STRONGEST_BASIC>
-0.38297198879949523

> <JCHEM_POLAR_SURFACE_AREA>
69.4

> <JCHEM_REFRACTIVITY>
137.96749999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.03e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
drometrizole trisiloxane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Drometrizole trisiloxane (INCI)

> <CAS>
155633-54-8

$$$$