Chem 8 Hydroxyquinoline 5 Sulfonic Acid

Compound 20
  CheckMol                        TMF02:r0:m0
MF=C9H7NO4S MW=225.22
 15 16  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7592    1.3167   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354   -1.2930   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -0.7354   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930    0.7592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5859    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2811    2.2775   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8789    0.7829   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5740   -1.4709   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5740    3.0367   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1718    0.0356   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8670    2.3012   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8670   -2.2182   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1599   -1.4590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1599    3.0604   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 01  0  2  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 11 14 01  0  1  0  0
 12 15  1  0  0  0  0
 10 12 02  0  1  0  0
 13 14 02  0  1  0  0
M  END

8-Hydroxyquinoline 5-Sulfonic Acid

₹ 0.00 0.00

Chemical Name - 8-Hydroxyquinoline 5-Sulfonic Acid
Mol Weight - 225.224
Smiles - Oc(c1ncccc11)ccc1S(O)(=O)=O

Property Name	Property Value
Mol Name	8-Hydroxyquinoline 5-Sulfonic Acid
Molweight	225.224
Monoisotopic Mass	225.009579
Clogp	-0.5994
Clogs	-0.632
H Acceptors	5
H Donors	2
Total Surface Area	147.9
Relative Psa	0.44456
Polar Surface Area	95.87
Druglikeness	-2.6356
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46667
Molecular Flexibility	0.30454
Molecular Complexity	0.78354
Fragments	1
Non H Atoms	15
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	3
Symmetric Atoms	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	Oc(c1ncccc11)ccc1S(O)(=O)=O
InChIKey	InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
InChI	LGDFHDKSYGVKDC-UHFFFAOYSA-N

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8-Hydroxyquinoline 5-Sulfonic Acid