Compound 4
  CheckMol                        TMF02:r0:m0
MF=C8H8Cl3N3O4S2 MW=380.65
 20 20  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4929   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271   -2.2276   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2797   -2.2276   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678   -3.7205   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5712   -1.4692   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8627   -2.2039   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5593    0.0474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8509   -3.6968   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.4456   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8509    0.8057   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.3438   -3.6850   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342   -3.6850   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390   -5.1898   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1424    0.0711   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8390    2.3224   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4339    0.8294   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    2.1446   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1804   -0.4621   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7254    1.5877   -0.0000 N   0  0  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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9  1  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  9 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15 02  0  1  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 11 15 01  0  1  0  0
M  END

2D Structure

Clorsulon

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Chemical Name - Clorsulon
Mol Weight - 380.66
Smiles - Nc(c(S(N)(=O)=O)c1)cc(C(Cl)=C(Cl)Cl)c1S(N)(=O)=O

Property Name	Property Value
Mol Name	Clorsulon
Molweight	380.66
Monoisotopic Mass	378.902178
Clogp	0.9012
Clogs	-2.484
H Acceptors	7
H Donors	3
Total Surface Area	225.16
Relative Psa	0.45732
Polar Surface Area	163.1
Druglikeness	0.1778
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Shape Index	0.45
Molecular Flexibility	0.54248
Molecular Complexity	0.8267
Fragments	1
Non H Atoms	20
Non Ch Atoms	12
Electronegative Atoms	12
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	3
Amides	2
Amines	1
Aromatic Amines	1
Smiles	Nc(c(S(N)(=O)=O)c1)cc(C(Cl)=C(Cl)Cl)c1S(N)(=O)=O
InChIKey	InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
InChI	QOVTVIYTBRHADL-UHFFFAOYSA-N

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