Mrv1572004191602172D          

 25 26  0  0  1  0            999 V2000
    4.1436   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116    0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    4.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    0.3487    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8414    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    4.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    1.0632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5559    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    4.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    1.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408   -1.3013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -1.3013    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    3.1257    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    5.6007    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.3007    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    4.7757    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    2.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    2.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6952    0.9320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024    1.2767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  1  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 13  9  2  0  0  0  0
 11 14  1  6  0  0  0
 15  1  1  0  0  0  0
 15  2  1  0  0  0  0
 15  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 23  5  1  0  0  0  0
 23 14  1  0  0  0  0
  7 24  1  6  0  0  0
 11 25  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM008195

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@@]1(C=C(Cl)Cl)[C@@]([H])(C(=O)OCC2=C(F)C(F)=CC(F)=C2F)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1

> <INCHI_KEY>
DDVNRFNDOPPVQJ-HQJQHLMTSA-N

> <FORMULA>
C15H12Cl2F4O2

> <MOLECULAR_WEIGHT>
371.15

> <EXACT_MASS>
370.0150477

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
30.588498559756694

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

> <ALOGPS_LOGP>
4.83

> <JCHEM_LOGP>
4.766619804666666

> <ALOGPS_LOGS>
-4.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.096967270546354

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
88.9072

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.89e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
transfluthrin

> <JCHEM_VEBER_RULE>
1

> <NAME>
Transfluthrin

> <CAS>
118712-89-3

> <SYNONYMS>
2,3,5,6-tetrafluorobenzyl trans-2-(2,2-dichlorovinyl)-3,3-dimethylcyclopropane- carboxylate; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluorophenyl)methyl ester, (1R,3S)-

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