Chem Lambda Cyhalothrin Meghamani

Compound 37
  CheckMol                        TMF02:r0:m0
MF=C23H19ClF3NO3 MW=449.86
 31 33  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   -1.4890   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.2217   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3236   -2.2217   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5644   -1.4654   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5909   -3.5098   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6353   -2.9544   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0799   -0.9100   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3089   -0.1536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534   -1.4536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0416    1.1581   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    1.1581   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3415   -2.1981   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297   -1.4417   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3297   -3.6871   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6178   -4.4316   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6060   -5.9206   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9059   -3.6753   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5942   -7.4096   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8941   -2.1626   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.1941   -4.4198   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.1822   -1.4063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.4822   -3.6634   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.1704    0.1064   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704   -2.1508   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.8587    0.8745   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.8469    2.3871   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5469    0.1418   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5351    3.1553   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2352    0.9100   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2234    2.4226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  3  1  6  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  1  0  0
  5 10  1  0  1  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  3  0  0  0  0
 18 20 02  0  1  0  0
 18 21 01  0  1  0  0
 20 22 01  0  1  0  0
 21 23 02  0  1  0  0
 22 24  1  0  0  0  0
 22 25 02  0  1  0  0
 24 26  1  0  0  0  0
 26 27 02  0  1  0  0
 26 28 01  0  1  0  0
 27 29 01  0  1  0  0
 28 30 02  0  1  0  0
 29 31 02  0  1  0  0
  9 10  1  0  1  0  0
 23 25 01  0  1  0  0
 30 31 01  0  1  0  0
M  END

Lambda-Cyhalothrin

₹ 0.00 0.00

Chemical Name - Lambda-Cyhalothrin
Mol Weight - 449.855
Smiles - CC(C)([C@H]1/C=C(/C(F)(F)F)Cl)[C@@H]1C(OC(c1cc(Oc2ccccc2)ccc1)C#N)=O

Property Name	Property Value
Mol Name	Lambda-Cyhalothrin
Molweight	449.855
Monoisotopic Mass	449.100555
Clogp	5.2655
Clogs	-7.182
H Acceptors	4
Total Surface Area	321
Relative Psa	0.14517
Polar Surface Area	59.32
Druglikeness	-12.548
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.54839
Molecular Flexibility	0.41505
Molecular Complexity	0.79871
Fragments	1
Non H Atoms	31
Non Ch Atoms	8
Electronegative Atoms	8
Stereo Centers	3
Rotatable Bonds	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	9
Symmetric Atoms	5
Smiles	CC(C)([C@H]1/C=C(/C(F)(F)F)Cl)[C@@H]1C(OC(c1cc(Oc2ccccc2)ccc1)C#N)=O
InChIKey	InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20+/m0/s1
InChI	ZXQYGBMAQZUVMI-NKUTVCTDSA-N

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Lambda-Cyhalothrin