Name: 3-methoxyestra-1,3,5(10)-trien-17β-ol
SMILES:
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12Molecular Processing
Molecular formula
C19H26O2
Molecular weight
286.42
Exact mass
286.1933
XLogP
3.91
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
83.62
Supplementary Information
Details werden geladen…
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