Nom: 3-benzyloxy-16β-(11′-bromoundecanyl)-1,3,5(10)-estratrien-17β-ol
SMILES:
C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@H](CCCCCCCCCCCBr)[C@@H]2OMolecular Processing
Molecular formula
C36H51BrO2
Molecular weight
595.71
Exact mass
594.3072
XLogP
10
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
14
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
166.68
Supplementary Information
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