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Compound 64
  CheckMol                        TMF02:r0:m0
MF=C16H14O6 MW=302.28
 22 24  0  4  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946   -0.7364   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827   -2.2329   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5892    0.0238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -2.9693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.9693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8838   -0.7126   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8719   -2.2091   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655   -4.4658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3540   -2.1973   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1784    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2471   -5.2022   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4730   -0.6889   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1666    1.5678   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2352   -6.6987   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7676    0.0713   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4612    2.3279   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.6770   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7558    1.5915   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0504    2.3517   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450    1.6153   -0.0000 C   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  1  0  1  0  0
  5  8  1  0  1  0  0
  5  9 01  0  1  0  0
  6 10  1  0  0  0  0
  6 11 02  0  1  0  0
  7 12  1  1  0  0  0
  9 13 02  0  1  0  0
 12 14 02  0  1  0  0
 12 15 01  0  1  0  0
 13 16  1  0  0  0  0
 14 17 01  0  1  0  0
 15 18 02  0  1  0  0
 17 19  1  0  0  0  0
 17 20 02  0  1  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  8  1  0  1  0  0
 11 13 01  0  1  0  0
 18 20 01  0  1  0  0
M  END

Hesperetin

₹ 0.00 0.00

Chemical Name - Hesperetin
Mol Weight - 302.281
Smiles - COc(ccc([C@H](CC1=O)Oc2c1c(O)cc(O)c2)c1)c1O

Property Name	Property Value
Mol Name	Hesperetin
Molweight	302.281
Monoisotopic Mass	302.07904
Clogp	2.0857
Clogs	-2.658
H Acceptors	6
H Donors	3
Total Surface Area	214.84
Relative Psa	0.33672
Polar Surface Area	96.22
Druglikeness	-0.0783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.29738
Molecular Complexity	0.82315
Fragments	1
Non H Atoms	22
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	8
Smiles	COc(ccc([C@H](CC1=O)Oc2c1c(O)cc(O)c2)c1)c1O
InChIKey	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1
InChI	AIONOLUJZLIMTK-CQSZACIVSA-N

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Hesperetin