Chem 26 Dihydroxyanthraquinone

Compound 146
  CheckMol                        TMF02:r0:m0
MF=C14H8O4 MW=240.21
 18 20  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4942   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   -2.2413   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3282   -2.2295   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2689   -3.7355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5734   -1.4823   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3400   -3.7237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6445   -1.4705   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4708   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615   -4.4708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.2295   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6564   -4.4589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9608   -2.2057   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.9650   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541   -3.7118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1586   -1.4705   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9727   -3.6999   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2890   -4.4470   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7 02  0  2  0  0
  4  8 01  0  1  0  0
  5  9  1  0  1  0  0
  5 10 01  0  1  0  0
  6 11 02  0  1  0  0
  7 12 01  0  1  0  0
  8 13 02  0  1  0  0
  9 14  2  0  0  0  0
 10 15 02  0  1  0  0
 11 16  1  0  0  0  0
 12 17 02  0  1  0  0
 17 18  1  0  0  0  0
  7  9  1  0  1  0  0
 11 15 01  0  1  0  0
 13 17 01  0  1  0  0
M  END

2,6-Dihydroxyanthraquinone

₹ 0.00 0.00

Chemical Name - 2,6-Dihydroxyanthraquinone
Mol Weight - 240.214
Smiles - Oc(cc1)cc(C(c(cc2)c3cc2O)=O)c1C3=O

Property Name	Property Value
Mol Name	2,6-Dihydroxyanthraquinone
Molweight	240.214
Monoisotopic Mass	240.04226
Clogp	2.342
Clogs	-4.138
H Acceptors	4
H Donors	2
Total Surface Area	167.72
Relative Psa	0.31171
Polar Surface Area	74.6
Druglikeness	-1.0702
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.55556
Molecular Flexibility	0.16637
Molecular Complexity	0.81997
Fragments	1
Non H Atoms	18
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	9
Smiles	Oc(cc1)cc(C(c(cc2)c3cc2O)=O)c1C3=O
InChIKey	InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
InChI	APAJFZPFBHMFQR-UHFFFAOYSA-N

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2,6-Dihydroxyanthraquinone