Compound 65
  CheckMol                        TMF02:r0:m0
MF=C15H10O7 MW=302.24
 22 24  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -0.7478   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2820   -2.2434   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5876    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.9794   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758   -2.9794   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8815   -0.7359   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5758    1.5312   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8696   -2.2197   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    2.5639   -4.4750   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1753    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2582    2.3028   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696    2.2909   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8577   -5.2109   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2463   -5.2109   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1634    1.5431   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8459   -6.7065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2345   -6.7065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4572    2.3028   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397   -7.4543   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283   -7.4424   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5164   -8.9381   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 02  0  1  0  0
  4  7 02  0  2  0  0
  4  8 01  0  1  0  0
  6  9 01  0  1  0  0
  6 10  1  0  0  0  0
  7 11 01  0  1  0  0
  8 12  1  0  0  0  0
  8 13 02  0  1  0  0
 10 14 02  0  1  0  0
 10 15 01  0  1  0  0
 11 16 02  0  1  0  0
 14 17 01  0  1  0  0
 15 18 02  0  1  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21 02  0  1  0  0
 21 22  1  0  0  0  0
  7  9 01  0  1  0  0
 13 16 01  0  1  0  0
 18 21 01  0  1  0  0
M  END

2D Structure

Quercetin

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Chemical Name - Quercetin
Mol Weight - 302.237
Smiles - Oc(cc1O)cc(OC(c(cc2)cc(O)c2O)=C2O)c1C2=O

Property Name	Property Value
Mol Name	Quercetin
Molweight	302.237
Monoisotopic Mass	302.042655
Clogp	1.4902
Clogs	-2.491
H Acceptors	7
H Donors	5
Total Surface Area	201.94
Relative Psa	0.43845
Polar Surface Area	127.45
Druglikeness	-0.082832
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.28375
Molecular Complexity	0.85194
Fragments	1
Non H Atoms	22
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	6
Smiles	Oc(cc1O)cc(OC(c(cc2)cc(O)c2O)=C2O)c1C2=O
InChIKey	InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChI	REFJWTPEDVJJIY-UHFFFAOYSA-N

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1 — Quercetin | 2 — Quercetin