Name: 4-Diazo-17β-hydroxymethyl-5αandrostan-3-one
SMILES:
C[C@]12CCC(=O)C(=[N+]=[N-])[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CO)CC[C@@H]12Molecular Processing
Molecular formula
C20H30N2O2
Molecular weight
330.47
Exact mass
330.2307
XLogP
3.49
TPSA
73.7
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
91.32
Supplementary Information
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