Chem 245 Trichloro 3 Hydroxy Benzoic Acid Pacific

Compound 122
  CheckMol                        TMF02:r0:m0
MF=C7H3Cl3O3 MW=241.46
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3040    0.7519   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3158    2.2556   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6081    0.0117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0352    3.0192   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198    3.0075   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6198   -1.4685   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9121    0.7636   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6316    4.5112   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    2.2674   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2279    3.0192   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2396    4.5230   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5319    2.2909   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  4  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 10 01  0  1  0  0
M  END

2,4,5 Trichloro 3-Hydroxy Benzoic Acid

₹ 0.00 0.00

Chemical Name - 2,4,5 Trichloro 3-Hydroxy Benzoic Acid
Mol Weight - 241.457
Smiles - OC(c(cc(c(Cl)c1O)Cl)c1Cl)=O

Property Name	Property Value
Mol Name	2,4,5 Trichloro 3-Hydroxy Benzoic Acid
Molweight	241.457
Monoisotopic Mass	239.914776
Clogp	2.617
Clogs	-3.541
H Acceptors	3
H Donors	2
Total Surface Area	149.97
Relative Psa	0.26165
Polar Surface Area	57.53
Druglikeness	-1.6821
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.53846
Molecular Flexibility	0.32005
Molecular Complexity	0.77083
Fragments	1
Non H Atoms	13
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	OC(c(cc(c(Cl)c1O)Cl)c1Cl)=O
InChIKey	InChI=1S/C7H3Cl3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)
InChI	JRBOKCPAHZZTFZ-UHFFFAOYSA-N

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2,4,5 Trichloro 3-Hydroxy Benzoic Acid