Chem Naphthalene 17 Disulfonicacid Dsrpl

Compound 350
  CheckMol                        TMF02:r0:m0
MF=C10H8O6S2 MW=288.29
 18 19  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7540    1.3077   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7304   -1.2841   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3077   -0.7304   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    0.7540   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2723    2.2619   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5683    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5565    3.0159   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0159   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8524    0.7658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5447    4.5239   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8406    2.2737   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5239   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2370    5.2897   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3548    5.2897   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126    6.5973   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1206    4.0055   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    6.0554   -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
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 10 12 02  0  1  0  0
 13 14 02  0  1  0  0
M  END

Naphthalene-1,7-disulfonicAcid

₹ 0.00 0.00

Chemical Name - Naphthalene-1,7-disulfonicAcid
Mol Weight - 288.3
Smiles - OS(c1ccc(cccc2S(O)(=O)=O)c2c1)(=O)=O

Property Name	Property Value
Mol Name	Naphthalene-1,7-disulfonicAcid
Molweight	288.3
Monoisotopic Mass	287.97623
Clogp	-1.6046
Clogs	-0.434
H Acceptors	6
H Donors	2
Total Surface Area	177.72
Relative Psa	0.46905
Polar Surface Area	125.5
Druglikeness	-2.9026
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.44444
Molecular Flexibility	0.40066
Molecular Complexity	0.77625
Fragments	1
Non H Atoms	18
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	4
Symmetric Atoms	2
Acidic Oxygens	2
Smiles	OS(c1ccc(cccc2S(O)(=O)=O)c2c1)(=O)=O
InChIKey	InChI=1S/C10H8O6S2/c11-17(12,13)8-5-4-7-2-1-3-10(9(7)6-8)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChI	HYFMZOAPNQAXHU-UHFFFAOYSA-N

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Naphthalene-1,7-disulfonicAcid