Compound 140
  CheckMol                        TMF02:r0:m0
MF=C10H12IN5O4 MW=393.14
 20 22  0  4  1               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554    0.3286   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4413   -0.7747   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.9014    1.7606   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.4460   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.3569    2.0892   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.8827   -1.5493   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3428    0.9859   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0963    3.4038   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.7043    1.6080   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.5517    3.0986   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4742    4.7888   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953    5.1174   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137    6.1034   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    6.6198   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926    6.2677   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043    7.2301   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5164    7.3827   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    8.7090   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7981    6.6433   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  0  0  0
  5  8 02  0  1  0  0
  6  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 12  9  1  6  0  0  0
 12 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  1  0  0
 14 16  1  1  0  0  0
 14 17  1  0  1  0  0
 15 18  1  6  0  0  0
 17 19  1  1  0  0  0
 18 20  1  0  0  0  0
  6  8 01  0  2  0  0
 10 11 02  0  1  0  0
 15 17  1  0  1  0  0
M  END

2D Structure

2-Iodoadenosine

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Chemical Name - 2-Iodoadenosine
Mol Weight - 393.136
Smiles - Nc1c2ncn([C@@H]([C@@H]3O)O[C@H](CO)[C@H]3O)c2nc(I)n1

Property Name	Property Value
Mol Name	2-Iodoadenosine
Molweight	393.136
Monoisotopic Mass	392.993403
Clogp	-1.0604
Clogs	-3.11
H Acceptors	9
H Donors	4
Total Surface Area	207.45
Relative Psa	0.50301
Polar Surface Area	139.54
Druglikeness	-0.38828
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.29096
Molecular Complexity	0.87957
Fragments	1
Non H Atoms	20
Non Ch Atoms	10
Electronegative Atoms	10
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)c2nc(I)n1
InChIKey	InChI=1S/C10H12IN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9+/m0/s1
InChI	MGEBVSZZNFOIRB-BZKDHIKHSA-N

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1 — 2-Iodoadenosine | 2 — 2-Iodoadenosine