C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Name: androst-5-ene-3,17-dione
SMILES: C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Molecular Processing

Molecular formula
C19H26O2
Molecular weight
286.42
Exact mass
286.1933
XLogP
4.09
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
81.72

Supplementary Information

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