Compound 100
  CheckMol                        TMF02:r0:m0
MF=C21H30O5 MW=362.46
 26 29  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914    1.1212   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431    0.8262   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193    2.5611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345    1.9474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5107    3.6823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    3.3873   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    1.6523   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    4.5085   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903    4.8272   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8776    2.7736   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    5.9484   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055    4.2134   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064    6.2671   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4731    7.0696   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3969    5.3347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9248    6.7746   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8840    5.3465   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1286    7.6715   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6061    8.2499   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3325    6.7864   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4505    8.3679   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1168    9.1822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4033    9.9376   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8068    9.9376   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4967    9.1940   -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  1  0  0
  2  4  1  0  1  0  0
  3  5  2  0  1  0  0
  4  6  1  0  1  0  0
  5  7  1  0  2  0  0
  5  8  1  0  1  0  0
  7  9  1  0  1  0  0
  7 10  1  1  0  0  0
  8 11  1  0  1  0  0
  9 12  1  1  1  0  0
  9 13  1  0  2  0  0
 12 14  1  1  0  0  0
 12 15  1  0  1  0  0
 13 16  1  0  1  0  0
 15 17  1  0  1  0  0
 16 18  1  1  1  0  0
 17 19  1  0  1  0  0
 17 20  1  1  0  0  0
 18 21  1  0  1  0  0
 19 22  1  6  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  7  1  0  1  0  0
 13 11  1  6  1  0  0
 16 17  1  0  2  0  0
 19 21  1  0  1  0  0
M  END

2D Structure

Hydrocortisone

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Chemical Name - Hydrocortisone
Mol Weight - 362.464
Smiles - C[C@](C[C@@H]1O)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(CC1)C3=CC1=O)[C@]2(C(CO)=O)O

Property Name	Property Value
Mol Name	Hydrocortisone
Molweight	362.464
Monoisotopic Mass	362.209325
Clogp	1.4168
Clogs	-3.186
H Acceptors	5
H Donors	3
Total Surface Area	254.59
Relative Psa	0.25681
Polar Surface Area	94.83
Druglikeness	3.3157
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.15976
Molecular Complexity	0.99187
Fragments	1
Non H Atoms	26
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	7
Rotatable Bonds	2
Rings Closures	4
Small Rings	4
Sp3 Atoms	20
Smiles	C[C@](C[C@@H]1O)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(CC1)C3=CC1=O)[C@]2(C(CO)=O)O
InChIKey	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16+,18-,19+,20+,21+/m1/s1
InChI	JYGXADMDTFJGBT-BMXPDEKXSA-N

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1 — Hydrocortisone | 2 — Hydrocortisone