Compound 54
  CheckMol                        TMF02:r0:m0
MF=C19H28O2 MW=288.43
 21 24  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664   -0.6060   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090   -2.0912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783    0.2970   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753   -2.6971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9447   -0.3089   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0872   -1.7941   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0179   -4.1823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4536   -2.4001   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2992   -0.8911   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843   -4.7883   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5962   -3.8853   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6655   -1.4971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9626   -4.4912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319   -2.1030   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1745   -3.5882   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4141   -5.9170   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3864   -4.4675   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4696   -2.8278   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9112   -5.9051   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122   -3.9922   -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  0  2  0  0
  9 13  1  1  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  1  0  0
 14 16  1  0  2  0  0
 14 17  1  1  1  0  0
 16 18  1  0  1  0  0
 16 19  1  1  0  0  0
 17 20  1  0  1  0  0
 18 21  1  1  0  0  0
  6  7  1  0  1  0  0
 12 11  1  6  1  0  0
 15 16  1  0  1  0  0
 18 20  1  0  1  0  0
M  END

2D Structure

Testosterone

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Chemical Name - Testosterone
Mol Weight - 288.429
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(CC1)C3=CC1=O)[C@H]2O

Property Name	Property Value
Mol Name	Testosterone
Molweight	288.429
Monoisotopic Mass	288.20893
Clogp	3.4962
Clogs	-4.061
H Acceptors	2
H Donors	1
Total Surface Area	213.73
Relative Psa	0.1223
Polar Surface Area	37.3
Druglikeness	1.56
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.52381
Molecular Flexibility	0.16218
Molecular Complexity	0.90577
Fragments	1
Non H Atoms	21
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	6
Rings Closures	4
Small Rings	4
Sp3 Atoms	17
Smiles	C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(CC1)C3=CC1=O)[C@H]2O
InChIKey	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18+,19+/m1/s1
InChI	MUMGGOZAMZWBJJ-ATNRFADISA-N

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1 — Testosterone | 2 — Testosterone