Compound 60
  CheckMol                        TMF02:r0:m0
MF=C12H14Cl2FNO4S MW=358.21
 21 21  0  1  1               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4966   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3303   -2.2449   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -2.2449   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2709   -3.7416   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5775   -1.4847   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8722   -2.2331   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1669   -1.4729   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8603   -3.7297   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    0.0475   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616   -2.2212   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1550   -4.4661   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7563   -1.4610   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4497   -3.7178   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0510   -2.2093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7444   -4.4661   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0391   -3.7059   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3338   -4.4542   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0822   -3.1358   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5737   -5.7489   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6285   -5.2026   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13 02  0  1  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
 14 16 02  0  1  0  0
 15 17 02  0  1  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 16 17 01  0  1  0  0
M  END

2D Structure

Florfenicol

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Chemical Name - Florfenicol
Mol Weight - 358.216
Smiles - CS(c1ccc([C@H]([C@@H](CF)NC(C(Cl)Cl)=O)O)cc1)(=O)=O

Property Name	Property Value
Mol Name	Florfenicol
Molweight	358.216
Monoisotopic Mass	357.000461
Clogp	0.1999
Clogs	-2.906
H Acceptors	5
H Donors	2
Total Surface Area	238.11
Relative Psa	0.27794
Polar Surface Area	91.85
Druglikeness	2.5502
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.57143
Molecular Flexibility	0.5615
Molecular Complexity	0.68745
Fragments	1
Non H Atoms	21
Non Ch Atoms	9
Electronegative Atoms	9
Stereo Centers	2
Rotatable Bonds	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	4
Amides	1
Smiles	CS(c1ccc([C@H]([C@@H](CF)NC(C(Cl)Cl)=O)O)cc1)(=O)=O
InChIKey	InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1
InChI	AYIRNRDRBQJXIF-NXEZZACHSA-N

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1 — Florfenicol | 2 — Florfenicol