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Compound 362
  CheckMol                        TMF02:r0:m0
MF=C16H14O6 MW=302.28
 22 25  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    0.8895   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3811    0.6203   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    0.2926   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.0300    2.3876   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5449    2.1184   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -1.1821   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    1.1821   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2238    3.2772   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3511    3.0080   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558    1.3811   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622    3.0080   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030    0.5852   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    2.6802   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8193    4.4359   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3174    4.4359   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0819    5.7467   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0782    5.7467   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8427    7.0576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3408    7.0576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1053    8.3684   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1016    8.3684   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4 02  0  1  0  0
  2  5 01  0  2  0  0
  3  6  1  0  1  0  0
  4  7  1  0  0  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
 10  5  1  1  1  0  0
  6 11  1  6  0  0  0
  6 12  1  0  1  0  0
  8 13  1  0  0  0  0
  8 14 02  0  1  0  0
 10 15  1  0  1  0  0
 12 16  1  0  1  0  0
 15 17 01  0  1  0  0
 16 18 01  0  1  0  0
 17 19 02  0  1  0  0
 18 20 02  0  1  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6 10  1  0  2  0  0
  9 14 01  0  1  0  0
 15 16 02  0  2  0  0
 19 20 01  0  1  0  0
M  END

Hematoxylin

₹ 0.00 0.00

Chemical Name - Hematoxylin
Mol Weight - 302.281
Smiles - O[C@@](Cc(cc1O)c2cc1O)(COc1c3O)[C@@H]2c1ccc3O

Property Name	Property Value
Mol Name	Hematoxylin
Molweight	302.281
Monoisotopic Mass	302.07904
Clogp	0.9821
Clogs	-1.977
H Acceptors	6
H Donors	5
Total Surface Area	198.2
Relative Psa	0.38093
Polar Surface Area	110.38
Druglikeness	0.40916
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.10098
Molecular Complexity	0.94724
Fragments	1
Non H Atoms	22
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	10
Smiles	O[C@@](Cc(cc1O)c2cc1O)(COc1c3O)[C@@H]2c1ccc3O
InChIKey	InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16-/m0/s1
InChI	WZUVPPKBWHMQCE-BBRMVZONSA-N

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Hematoxylin