Compound 355
  CheckMol                        TMF02:r0:m0
MF=C10H13N5O4 MW=267.24
 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 N   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

Adenosine

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Chemical Name - Adenosine
Mol Weight - 267.244
Smiles - Nc1c2ncn([C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2ncn1

Property Name	Property Value
Mol Name	Adenosine
Molweight	267.244
Monoisotopic Mass	267.096755
Clogp	-1.7396
Clogs	-2.325
H Acceptors	9
H Donors	4
Total Surface Area	181.17
Relative Psa	0.57598
Polar Surface Area	139.54
Druglikeness	-0.90819
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	9
Aromatic Nitrogens	4
Basic Nitrogens	1
Smiles	Nc1c2ncn([C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2ncn1
InChIKey	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7+,10-/m1/s1
InChI	OIRDTQYFTABQOQ-XJCFNFQFSA-N

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1 — Adenosine | 2 — Adenosine