Chem 4 Amino Salicylic Acid

Compound 14
  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   -1.4978   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314   -2.2348   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838   -2.2348   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5795   -1.4740   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2719   -3.7326   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5676    0.0475   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8752   -2.2229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5676   -4.4696   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8633   -3.7207   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1590   -4.4696   -0.0000 N   0  0  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 02  0  1  0  0
 10 11  1  0  0  0  0
  9 10 01  0  1  0  0
M  END

4-Amino Salicylic Acid

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Chemical Name - 4-Amino Salicylic Acid
Mol Weight - 153.137
Smiles - Nc(cc1)cc(O)c1C(O)=O

Property Name	Property Value
Mol Name	4-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	high
Reproductive Effective	low
Irritant	high
Shape Index	0.63636
Molecular Flexibility	0.35822
Molecular Complexity	0.6993
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	Nc(cc1)cc(O)c1C(O)=O
InChIKey	InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChI	WUBBRNOQWQTFEX-UHFFFAOYSA-N

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4-Amino Salicylic Acid