Chem Dibenzofuran 2 Sulfonic Acid Dsrpl

Compound 340
  CheckMol                        TMF02:r0:m0
MF=C12H8O4S MW=248.25
 17 19  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559    1.3110   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323   -1.2874   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3110   -0.7323   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2874    0.7559   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2756    2.2677   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5748    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5630    3.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8622    0.7677   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8504    2.2914   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8583    4.5000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9489    3.3071   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    4.3347    4.6654   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.9606    5.7284   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9371    6.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5630    7.1103   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0394    7.2757   -0.0000 C   0 00  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 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  2  0  0
  8 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  2  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
 14 16 02  0  1  0  0
 15 17 02  0  1  0  0
  9 10 01  0  1  0  0
 12 13 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

Dibenzofuran-2-sulfonic Acid

₹ 0.00 0.00

Chemical Name - Dibenzofuran-2-sulfonic Acid
Mol Weight - 248.258
Smiles - OS(c(cc1)cc2c1oc1c2cccc1)(=O)=O

Property Name	Property Value
Mol Name	Dibenzofuran-2-sulfonic Acid
Molweight	248.258
Monoisotopic Mass	248.01433
Clogp	1.1988
Clogs	-2.882
H Acceptors	4
H Donors	1
Total Surface Area	167.08
Relative Psa	0.33391
Polar Surface Area	75.89
Druglikeness	-0.94549
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.52941
Molecular Flexibility	0.23977
Molecular Complexity	0.81145
Fragments	1
Non H Atoms	17
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	13
Sp3 Atoms	2
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	OS(c(cc1)cc2c1oc1c2cccc1)(=O)=O
InChIKey	InChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)
InChI	JANFYPHFIPGYTQ-UHFFFAOYSA-N

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Dibenzofuran-2-sulfonic Acid