Compound 15
  CheckMol                        TMF02:r0:m0
MF=C7H7NO3 MW=153.14
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4951   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290   -2.2426   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815   -2.2426   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5749   -1.4832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2696   -3.7377   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5630    0.0356   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683   -2.2189   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5630   -4.4853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1616   -1.4595   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8564   -3.7140   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
  9 11 01  0  1  0  0
M  END

2D Structure

3-Amino Salicylic Acid

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Chemical Name - 3-Amino Salicylic Acid
Mol Weight - 153.137
Smiles - Nc1cccc(C(O)=O)c1O

Property Name	Property Value
Mol Name	3-Amino Salicylic Acid
Molweight	153.137
Monoisotopic Mass	153.042594
Clogp	0.1217
Clogs	-1.409
H Acceptors	4
H Donors	3
Total Surface Area	112.23
Relative Psa	0.4857
Polar Surface Area	83.55
Druglikeness	-1.5411
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.73271
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
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	Nc1cccc(C(O)=O)c1O
InChIKey	InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChI	IQGMRVWUTCYCST-UHFFFAOYSA-N

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