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Compound 114
  CheckMol                        TMF02:r0:m0
MF=C21H27FO6 MW=394.44
 28 31  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8028   -0.2862   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8012   -1.3735   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306    1.1303   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2336   -0.5723   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -2.7614   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582   -1.0588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863    0.3863   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288    1.4451   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    2.2463   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065    0.5437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771   -1.9602   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2432   -3.8488   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756   -3.0476   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6597   -2.1462   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343    1.9602   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6659    0.5580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2162   -3.5340   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    2.8473   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196    3.4196   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094    1.9745   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2177   -4.6214   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2239    3.5340   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076    4.3353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4973    2.4466   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810    5.0936   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    5.0936   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    4.3639   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  2  5  1  0  2  0  0
  3  6  1  0  2  0  0
  3  7  1  0  1  0  0
  3  8  1  1  0  0  0
  4  9  1  1  0  0  0
  4 10  1  0  1  0  0
  5 11  1  0  1  0  0
  5 12  1  6  1  0  0
  6 13  2  0  1  0  0
  6 14  1  0  1  0  0
  7 15  2  0  1  0  0
 10 16  1  0  1  0  0
 11 17  1  1  1  0  0
 13 18  1  0  1  0  0
 16 19  1  0  1  0  0
 16 20  1  1  0  0  0
 17 21  1  0  1  0  0
 18 22  2  0  0  0  0
 19 23  1  6  0  0  0
 19 24  1  0  0  0  0
 21 25  1  6  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 11 16  1  0  2  0  0
 12 14  1  0  1  0  0
 15 18  1  0  1  0  0
 19 21  1  0  1  0  0
M  END

Triamcinolone

₹ 0.00 0.00

Chemical Name - Triamcinolone
Mol Weight - 394.437
Smiles - C[C@](C[C@@H]1O)([C@@H](C[C@H]2O)[C@H](CCC([C@]3(C)C=C4)=CC4=O)[C@@]13F)[C@]2(C(CO)=O)O

Property Name	Property Value
Mol Name	Triamcinolone
Molweight	394.437
Monoisotopic Mass	394.179168
Clogp	0.167
Clogs	-2.691
H Acceptors	6
H Donors	4
Total Surface Area	262.92
Relative Psa	0.29849
Polar Surface Area	115.06
Druglikeness	2.4849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46429
Molecular Flexibility	0.17388
Molecular Complexity	1.0309
Fragments	1
Non H Atoms	28
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	8
Rotatable Bonds	2
Rings Closures	4
Small Rings	4
Sp3 Atoms	19
Smiles	C[C@](C[C@@H]1O)([C@@H](C[C@H]2O)[C@H](CCC([C@]3(C)C=C4)=CC4=O)[C@@]13F)[C@]2(C(CO)=O)O
InChIKey	InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1
InChI	GFNANZIMVAIWHM-BWPSUJIGSA-N

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Triamcinolone