Chem 25 Dichloro 36 Dihydroxy P Benzoquinone

Compound 22
  CheckMol                        TMF02:r0:m0
MF=C6H2Cl2O4 MW=208.99
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081   -0.7425   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199   -2.2274   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6163    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9698   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281   -2.9580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281    1.5321   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244   -0.7071   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398   -4.4430   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9362   -2.2038   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2326    0.0589   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2443   -2.9345   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  0  0  0
  3  6  1  0  1  0  0
  4  7  2  0  0  0  0
  4  8  1  0  1  0  0
  6  9  2  0  0  0  0
  6 10  1  0  1  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  2  0  1  0  0
M  END

(2,5-Dichloro-3,6-dihydroxy-p-benzoquinone)

₹ 0.00 0.00

Chemical Name - (2,5-Dichloro-3,6-dihydroxy-p-benzoquinone)
Mol Weight - 208.984
Smiles - OC(C(C(Cl)=C(C1=O)O)=O)=C1Cl

Property Name	Property Value
Mol Name	(2,5-Dichloro-3,6-dihydroxy-p-benzoquinone)
Molweight	208.984
Monoisotopic Mass	207.933014
Clogp	-0.0766
Clogs	-2.242
H Acceptors	4
H Donors	2
Total Surface Area	124.88
Relative Psa	0.41864
Polar Surface Area	74.6
Druglikeness	-1.0129
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	2
Shape Index	0.5
Molecular Flexibility	0.013035
Molecular Complexity	0.78642
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Rings Closures	1
Small Rings	1
Sp3 Atoms	2
Symmetric Atoms	6
Smiles	OC(C(C(Cl)=C(C1=O)O)=O)=C1Cl
InChIKey	InChI=1S/C6H2Cl2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H
InChI	IPPWILKGXFOXHO-UHFFFAOYSA-N

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(2,5-Dichloro-3,6-dihydroxy-p-benzoquinone)