Compound 29
  CheckMol                        TMF02:r0:m0
MF=C21H20Cl2O3 MW=391.29
 26 28  0  3  1               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757    2.2679   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    2.2797   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6341    1.5474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4018    0.2599   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1460    1.5592   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1578   -1.0276   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695   -1.0276   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4571    2.3151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4689    3.8271   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7682    1.5710   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0793    2.3269   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3905    1.5828   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.4023    0.0945   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.7016    2.3506   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.7134   -0.6378   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -12.0127    1.6182   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.7252   -2.1261   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0245    0.1181   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.4377   -2.8703   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.4495   -4.3586   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.1502   -2.1143   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.1620   -5.1027   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.8627   -2.8585   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.8745   -4.3468   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  1  0  0
  5  7  1  0  1  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15 02  0  1  0  0
 14 16 01  0  1  0  0
 15 17 01  0  1  0  0
 16 18 02  0  1  0  0
 17 19  1  0  0  0  0
 17 20 02  0  1  0  0
 19 21  1  0  0  0  0
 21 22 02  0  1  0  0
 21 23 01  0  1  0  0
 22 24 01  0  1  0  0
 23 25 02  0  1  0  0
 24 26 02  0  1  0  0
  6  7  1  0  1  0  0
 18 20 01  0  1  0  0
 25 26 01  0  1  0  0
M  END

2D Structure

Permethrin

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Chemical Name - Permethrin
Mol Weight - 391.293
Smiles - CC(C)([C@H]1C=C(Cl)Cl)[C@@H]1C(OCc1cc(Oc2ccccc2)ccc1)=O

Property Name	Property Value
Mol Name	Permethrin
Molweight	391.293
Monoisotopic Mass	390.078949
Clogp	5.8089
Clogs	-6.469
H Acceptors	3
Total Surface Area	286.51
Relative Psa	0.11532
Polar Surface Area	35.53
Druglikeness	0.92471
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	1
Shape Index	0.61538
Molecular Flexibility	0.38934
Molecular Complexity	0.75402
Fragments	1
Non H Atoms	26
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	2
Rotatable Bonds	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	8
Symmetric Atoms	4
Smiles	CC(C)([C@H]1C=C(Cl)Cl)[C@@H]1C(OCc1cc(Oc2ccccc2)ccc1)=O
InChIKey	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/t17-,19+/m0/s1
InChI	RLLPVAHGXHCWKJ-PKOBYXMFSA-N

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1 — Permethrin | 2 — Permethrin