Compound 11
  CheckMol                        TMF02:r0:m0
MF=C7H5ClO3 MW=172.57
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059   -0.7294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6119    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3177   -2.2118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6236    1.5295   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9178   -0.7059   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6236   -2.9530   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2237    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.1883   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2355    1.5530   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5296   -0.6941   -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 02  0  1  0  0
  6  8  1  0  0  0  0
  6  9 02  0  1  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

2D Structure

3-Chloro Salicylic Acid

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Chemical Name - 3-Chloro Salicylic Acid
Mol Weight - 172.567
Smiles - OC(c1cccc(Cl)c1O)=O

Property Name	Property Value
Mol Name	3-Chloro Salicylic Acid
Molweight	172.567
Monoisotopic Mass	171.992722
Clogp	1.405
Clogs	-2.069
H Acceptors	3
H Donors	2
Total Surface Area	119.13
Relative Psa	0.32939
Polar Surface Area	57.53
Druglikeness	-1.6821
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.75684
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	OC(c1cccc(Cl)c1O)=O
InChIKey	InChI=1S/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChI	PPINMMULCRBDOS-UHFFFAOYSA-N

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1 — 3-Chloro Salicylic Acid | 2 — 3-Chloro Salicylic Acid