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Compound 56
  CheckMol                        TMF02:r0:m0
MF=C18H24O3 MW=288.39
 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
    1.3669   -0.6062   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.5095   -2.0920   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5793    0.2972   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8765   -2.6982   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9462   -0.3090   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0888   -1.7948   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0191   -4.1839   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4558   -2.4010   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -4.7901   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5984   -3.8868   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6681   -1.4977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653   -4.4930   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0351   -2.1039   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1777   -3.5896   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4170   -5.9193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3901   -4.4692   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4733   -2.8289   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9146   -5.9074   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8164   -3.9938   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -7.1198   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  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
 19 21  1  6  0  0  0
  6  7 01  0  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

Estriol

₹ 0.00 0.00

Chemical Name - Estriol
Mol Weight - 288.386
Smiles - C[C@](CC1)([C@@H](C[C@H]2O)[C@H](CC3)[C@H]1c(cc1)c3cc1O)[C@H]2O

Property Name	Property Value
Mol Name	Estriol
Molweight	288.386
Monoisotopic Mass	288.172545
Clogp	3.0245
Clogs	-3.621
H Acceptors	3
H Donors	3
Total Surface Area	205.78
Relative Psa	0.19098
Polar Surface Area	60.69
Druglikeness	-0.31086
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.52381
Molecular Flexibility	0.1362
Molecular Complexity	0.898
Fragments	1
Non H Atoms	21
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	6
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	15
Smiles	C[C@](CC1)([C@@H](C[C@H]2O)[C@H](CC3)[C@H]1c(cc1)c3cc1O)[C@H]2O
InChIKey	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14+,15+,16+,17-,18+/m1/s1
InChI	PROQIPRRNZUXQM-CJNLHWCBSA-N

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Estriol