Chem Cloquintocet Mexyl Sajjan

Compound 45
  CheckMol                        TMF02:r0:m0
MF=C18H22ClNO3 MW=335.83
 23 24  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2945    0.7601   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5891    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2827    2.2803   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8836    0.7838   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5772   -1.4727   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5772    3.0404   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1781    0.0356   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8717    2.3040   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8717   -2.2209   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1662   -1.4608   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1662    3.0641   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4608    2.3278   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7553    3.0879   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7434    4.6081   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0498    2.3515   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3444    3.1116   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6389    2.3753   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3325    4.6318   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9334    3.1354   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2280    2.3990   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5225    3.1591   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8170    2.4228   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 01  0  2  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  8 11 01  0  1  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9 02  0  1  0  0
 10 11 02  0  1  0  0
M  END

Cloquintocet-Mexyl

₹ 0.00 0.00

Chemical Name - Cloquintocet-Mexyl
Mol Weight - 335.83
Smiles - CCCCCC(C)OC(COc(c1ncccc11)ccc1Cl)=O

Property Name	Property Value
Mol Name	Cloquintocet-Mexyl
Molweight	335.83
Monoisotopic Mass	335.128821
Clogp	4.6527
Clogs	-4.737
H Acceptors	4
Total Surface Area	265.61
Relative Psa	0.16569
Polar Surface Area	48.42
Druglikeness	-11.205
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.65217
Molecular Flexibility	0.43974
Molecular Complexity	0.77562
Fragments	1
Non H Atoms	23
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	10
Aromatic Nitrogens	1
Smiles	CCCCCC(C)OC(COc(c1ncccc11)ccc1Cl)=O
InChIKey	InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
InChI	COYBRKAVBMYYSF-UHFFFAOYSA-N

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Cloquintocet-Mexyl