Mrv1652307282022152D 26 28 0 0 0 0 999 V2000 2.2259 -1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7006 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9862 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7006 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9862 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.6020 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -2.3645 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -4.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -3.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2717 -3.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 14 7 1 0 0 0 0 14 11 2 0 0 0 0 14 13 1 0 0 0 0 15 8 2 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 1 1 0 0 0 0 21 2 1 0 0 0 0 21 17 1 0 0 0 0 21 19 1 0 0 0 0 22 18 1 0 0 0 0 23 18 1 0 0 0 0 24 20 2 0 0 0 0 25 13 1 0 0 0 0 25 20 1 0 0 0 0 26 15 1 0 0 0 0 26 16 1 0 0 0 0 M END > <DATABASE_ID> CDB006194 > <DATABASE_NAME> CDB > <SMILES> CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 > <INCHI_IDENTIFIER> InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3 > <INCHI_KEY> RLLPVAHGXHCWKJ-UHFFFAOYSA-N > <FORMULA> C21H20Cl2O3 > <MOLECULAR_WEIGHT> 391.288 > <EXACT_MASS> 390.07894992 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 46 > <JCHEM_AVERAGE_POLARIZABILITY> 39.43070122486337 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate > <ALOGPS_LOGP> 6.24 > <JCHEM_LOGP> 5.696099242333333 > <ALOGPS_LOGS> -6.75 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -3.6914374735348043 > <JCHEM_POLAR_SURFACE_AREA> 35.53 > <JCHEM_REFRACTIVITY> 114.28240000000002 > <JCHEM_ROTATABLE_BOND_COUNT> 7 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.91e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> permethrin > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB006194 > <GENERIC_NAME> Permethrin $$$$