Compound 354
  CheckMol                        TMF02:r0:m0
MF=C10H12N4O5 MW=268.23
 19 21  0  4  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601   -0.3061   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1648    1.5072   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0606   -1.6720   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.2019    1.0126   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    2.1312   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4836    2.2725   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5206   -1.9782   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2952   -2.9672   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6855    1.1775   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    3.6148   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8024    1.5307   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7217   -1.0833   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.6619   -3.4618   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2843   -4.0740   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.0875   -1.6838   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0278   -4.0623   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.2288   -3.1674   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1691   -5.5459   -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  1  6  0  0  0
  2  5  1  0  1  0  0
  3  6  1  0  1  0  0
  3  7  1  6  0  0  0
  4  8 01  0  1  0  0
  4  9 01  0  1  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  7 12  1  0  0  0  0
  8 13 02  0  1  0  0
  8 14 01  0  2  0  0
  9 15 02  0  1  0  0
 13 16 01  0  1  0  0
 14 17 02  0  1  0  0
 16 18 02  0  1  0  0
 17 19  1  0  0  0  0
  5  6  1  0  1  0  0
 14 15 01  0  1  0  0
 17 18 01  0  1  0  0
M  END

2D Structure

Inosine

₹ 0.00 0.00

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Chemical Name - Inosine
Mol Weight - 268.228
Smiles - OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2ncnc(O)c2nc1

Property Name	Property Value
Mol Name	Inosine
Molweight	268.228
Monoisotopic Mass	268.080771
Clogp	-1.408
Clogs	-1.953
H Acceptors	9
H Donors	4
Total Surface Area	179
Relative Psa	0.57084
Polar Surface Area	133.75
Druglikeness	-0.94333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.52632
Molecular Flexibility	0.30044
Molecular Complexity	0.86692
Fragments	1
Non H Atoms	19
Non Ch Atoms	9
Electronegative Atoms	9
Stereo Centers	4
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	10
Aromatic Nitrogens	4
Basic Nitrogens	3
Smiles	OC[C@H]([C@H]([C@H]1O)O)O[C@H]1n1c2ncnc(O)c2nc1
InChIKey	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6+,7+,10-/m1/s1
InChI	UGQMRVRMYYASKQ-XJCFNFQFSA-N

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1 — Inosine | 2 — Inosine