Name: ethinyl estradiol
SMILES:
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21CMolecular Processing
Molecular formula
C20H24O2
Molecular weight
296.41
Exact mass
296.1776
XLogP
3.61
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
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
0.6
Molar refractivity
86.51
Supplementary Information
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