Compound 33
  CheckMol                        TMF02:r0:m0
MF=C8H12N4O5 MW=244.21
 17 18  0  2  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4937   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -2.2406   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3277   -2.2406   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4937   -3.7224   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7147   -1.6122   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9755   -4.0188   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7343   -2.7147   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.6039   -5.3821   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0857   -5.6784   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689   -6.6742   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2517   -7.1603   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870   -6.8165   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8884   -7.7767   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5675   -7.8953   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -9.2349   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5794   -9.3890   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  9  7  1  1  0  0  0
  9 10  1  0  1  0  0
  9 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  1  6  0  0  0
 11 14  1  0  1  0  0
 12 15  1  1  0  0  0
 14 16  1  6  0  0  0
 15 17  1  0  0  0  0
  7  8 01  0  1  0  0
 12 14  1  0  1  0  0
M  END

2D Structure

Ribavirin

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Chemical Name - Ribavirin
Mol Weight - 244.206
Smiles - NC(c1nn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)cn1)=O

Property Name	Property Value
Mol Name	Ribavirin
Molweight	244.206
Monoisotopic Mass	244.080771
Clogp	-2.9504
Clogs	-0.526
H Acceptors	9
H Donors	4
Total Surface Area	165.56
Relative Psa	0.64279
Polar Surface Area	143.72
Druglikeness	1.724
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58824
Molecular Flexibility	0.38169
Molecular Complexity	0.79273
Fragments	1
Non H Atoms	17
Non Ch Atoms	9
Electronegative Atoms	9
Stereo Centers	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	9
Amides	1
Aromatic Nitrogens	3
Smiles	NC(c1nn([C@@H]([C@@H]2O)O[C@H](CO)[C@H]2O)cn1)=O
InChIKey	InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5+,8+/m0/s1
InChI	IWUCXVSUMQZMFG-PDNLFSCWSA-N

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1 — Ribavirin | 2 — Ribavirin