C[C@]12CCCCC1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC13OCCOC12OCCO3
Name: 17,17-bis(ethylendioxy)androstane-7-one
SMILES: C[C@]12CCCCC1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC13OCCOC12OCCO3

Molecular Processing

Molecular formula
C23H34O5
Molecular weight
390.52
Exact mass
390.2406
XLogP
3.69
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
28
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
6
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.957
Molar refractivity
101.39

Supplementary Information

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