Name: 1-Acetoxy-3-hydroxyestra-1,3,5(10)-trien-17-one
SMILES:
CC(=O)Oc1cc(O)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2Molecular Processing
Molecular formula
C20H24O4
Molecular weight
328.41
Exact mass
328.1675
XLogP
3.74
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
89.04
Supplementary Information
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