Compound 67
  CheckMol                        TMF02:r0:m0
MF=C3Cl3N3O3 MW=232.41
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2951   -0.7485   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5902    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2832   -2.2456   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5783    1.5327   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8853   -0.7367   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.9823   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783   -2.9823   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1804    0.0238   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8734   -2.2337   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5664   -4.4794   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1685   -2.9823   -0.0000 O   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 01  0  1  0  0
  3  5  2  0  0  0  0
  3  6 01  0  1  0  0
  4  7  2  0  0  0  0
  4  8 01  0  1  0  0
  6  9  1  0  0  0  0
  6 10 01  0  1  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 10 01  0  1  0  0
M  END

2D Structure

Trichloroisocyanuric Acid

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Chemical Name - Trichloroisocyanuric Acid
Mol Weight - 232.41
Smiles - O=C(N(C(N(C1=O)Cl)=O)Cl)N1Cl

Property Name	Property Value
Mol Name	Trichloroisocyanuric Acid
Molweight	232.41
Monoisotopic Mass	230.900523
Clogp	-4.4625
Clogs	-2.264
H Acceptors	6
Total Surface Area	130.41
Relative Psa	0.38164
Polar Surface Area	60.93
Druglikeness	-1.2882
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.5
Molecular Flexibility	0.3168
Molecular Complexity	0.69828
Fragments	1
Non H Atoms	12
Non Ch Atoms	9
Electronegative Atoms	9
Rings Closures	1
Small Rings	1
Sp3 Atoms	3
Symmetric Atoms	8
Smiles	O=C(N(C(N(C1=O)Cl)=O)Cl)N1Cl
InChIKey	InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChI	YRIZYWQGELRKNT-UHFFFAOYSA-N

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1 — Trichloroisocyanuric Acid | 2 — Trichloroisocyanuric Acid