이름: 3α-acetoxy-17-(3 -pyridyl)-5α-androst-16-ene
SMILES:
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1Molecular Processing
Molecular formula
C26H35NO2
Molecular weight
393.57
Exact mass
393.2668
XLogP
6.05
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
114.88
Supplementary Information
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