이름: 2-ethoxy-β-estra-3,17β-diol
SMILES:
CCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12Molecular Processing
Molecular formula
C20H28O3
Molecular weight
316.44
Exact mass
316.2038
XLogP
4.01
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
89.9
Supplementary Information
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