C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(I)=CC[C@@H]12
Nom: 17-iodo-androsta-5,16-dien-3β-ol
SMILES: C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(I)=CC[C@@H]12

Molecular Processing

Molecular formula
C19H27IO
Molecular weight
398.33
Exact mass
398.1107
XLogP
5.24
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
95.2

Supplementary Information

Récupération des détails…

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