이름: 17β,19-dihydroxy-4-methyl-4-androsten-3-one
SMILES:
CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(CO)CCC1=OMolecular Processing
Molecular formula
C20H30O3
Molecular weight
318.46
Exact mass
318.2195
XLogP
3.24
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
88.75
Supplementary Information
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