Chem Norethisterone Unilink

Compound 70
  CheckMol                        TMF02:r0:m0
MF=C20H26O2 MW=298.42
 22 25  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3668   -0.6062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5095   -2.0919   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.2971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -2.6980   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9460   -0.3090   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887   -1.7947   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190   -4.1837   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4555   -2.4009   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -4.7899   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.8866   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6678   -1.4976   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9650   -4.4928   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0347   -2.1038   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1773   -3.5895   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4166   -5.9191   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3897   -4.4690   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729   -2.8288   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9142   -5.9072   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4475   -5.5268   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8159   -3.9936   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2422   -3.5182   -0.0000 C   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
  8 10  1  0  1  0  0
  9 11  1  0  2  0  0
  9 12  1  1  1  0  0
 11 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  2  0  0
 13 16  1  1  1  0  0
 15 17  1  0  1  0  0
 15 18  1  1  0  0  0
 16 19  1  0  1  0  0
 17 20  1  1  0  0  0
 17 21  1  0  0  0  0
 21 22  3  0  0  0  0
  7  6  1  6  1  0  0
 11 10  1  6  1  0  0
 14 15  1  0  1  0  0
 17 19  1  0  1  0  0
M  END

Norethisterone

₹ 0.00 0.00

Chemical Name - Norethisterone
Mol Weight - 298.424
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@H](CC1)C3=CC1=O)[C@@]2(C#C)O

Property Name	Property Value
Mol Name	Norethisterone
Molweight	298.424
Monoisotopic Mass	298.19328
Clogp	3.0836
Clogs	-4.317
H Acceptors	2
H Donors	1
Total Surface Area	225.28
Relative Psa	0.11603
Polar Surface Area	37.3
Druglikeness	1.8438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.15785
Molecular Complexity	0.92104
Fragments	1
Non H Atoms	22
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	6
Rings Closures	4
Small Rings	4
Sp3 Atoms	16
Smiles	C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@H](CC1)C3=CC1=O)[C@@]2(C#C)O
InChIKey	InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16-,17+,18+,19+,20+/m1/s1
InChI	VIKNJXKGJWUCNN-MILMJNAHSA-N

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