Compound 31
  CheckMol                        TMF02:r0:m0
MF=C8H10FN3O3S MW=247.25
 16 17  0  2  1               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3904   -0.6009   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898   -1.1076   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490   -2.0856   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7102    0.1650   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239   -2.4038   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0299   -0.5774   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -3.7707   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.3095   -3.9121   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0707   -4.9726   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1815   -2.6866   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105   -5.2789   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    0.5302   -6.3394   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0149   -6.4808   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3653   -7.5413   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6159   -7.8477   -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  0  1  0  0
  2  5  1  1  0  0  0
  3  6  1  0  1  0  0
  5  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11  2  0  0  0  0
  9 12 01  0  1  0  0
 10 13 02  0  1  0  0
 12 14 02  0  1  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  4  6  1  0  1  0  0
 13 14 01  0  1  0  0
M  END

2D Structure

Emtricitabine

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Chemical Name - Emtricitabine
Mol Weight - 247.249
Smiles - NC(C(F)=CN1[C@H]2O[C@@H](CO)SC2)=NC1=O

Property Name	Property Value
Mol Name	Emtricitabine
Molweight	247.249
Monoisotopic Mass	247.04269
Clogp	-0.747
Clogs	-1.869
H Acceptors	6
H Donors	2
Total Surface Area	163.46
Relative Psa	0.51364
Polar Surface Area	113.45
Druglikeness	1.29
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.625
Molecular Flexibility	0.42451
Molecular Complexity	0.76856
Fragments	1
Non H Atoms	16
Non Ch Atoms	8
Electronegative Atoms	8
Stereo Centers	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Sp3 Atoms	7
Amides	1
Basic Nitrogens	1
Smiles	NC(C(F)=CN1[C@H]2O[C@@H](CO)SC2)=NC1=O
InChIKey	InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1
InChI	XQSPYNMVSIKCOC-PHDIDXHHSA-N

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1 — Emtricitabine | 2 — Emtricitabine