이름: 8α-estra-1,3,5(10)-triene-1,3,16α,17β-tetrol
SMILES:
C[C@]12CC[C@@H]3c4c(O)cc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2OMolecular Processing
Molecular formula
C18H24O4
Molecular weight
304.39
Exact mass
304.1675
XLogP
2.29
TPSA
80.92
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
81.79
Supplementary Information
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