Nombre: 16β-ethyl-bromoacetoxy-4-estren-3-one
SMILES:
CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(COC(=O)CBr)C1Molecular Processing
Molecular formula
C22H31BrO3
Molecular weight
423.39
Exact mass
422.1457
XLogP
5.07
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
104.95
Supplementary Information
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