C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)OCC[C@@H]12
Name: 17-oxaandrost-5-en-3β-ol
SMILES: C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)OCC[C@@H]12

Molecular Processing

Molecular formula
C18H28O2
Molecular weight
276.42
Exact mass
276.2089
XLogP
3.69
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
79.34

Supplementary Information

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