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Compound 13
  CheckMol                        TMF02:r0:m0
MF=C10H14O4 MW=198.22
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    0.7558   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3109    0.7558   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2755    2.2675   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6218    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5628   -1.4762   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8618    0.7676   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5628    3.0233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6336   -1.4762   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9327    0.7676   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519   -2.2203   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.2793   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2436    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13 02  0  1  0  0
 11 14  1  0  0  0  0
  9 13 01  0  1  0  0
M  END

Guaifenesin

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Chemical Name - Guaifenesin
Mol Weight - 198.217
Smiles - COc(cccc1)c1OCC(CO)O

Property Name	Property Value
Mol Name	Guaifenesin
Molweight	198.217
Monoisotopic Mass	198.08921
Clogp	0.4318
Clogs	-1.316
H Acceptors	4
H Donors	2
Total Surface Area	158.24
Relative Psa	0.29196
Polar Surface Area	58.92
Druglikeness	-1.0644
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.55744
Molecular Complexity	0.5406
Fragments	1
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	8
Smiles	COc(cccc1)c1OCC(CO)O
InChIKey
InChI	C10H14O4

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Guaifenesin