이름: androstane-3,6,17-trione
SMILES:
C[C@]12CCC(=O)CC1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12Molecular Processing
Molecular formula
C19H26O3
Molecular weight
302.41
Exact mass
302.1882
XLogP
3.35
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.842
Molar refractivity
82.13
Supplementary Information
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