C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=[N+]=[N-])C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Name: (5α,20R)-4-diazo-21-hydroxy-20-methyl-pregnane-3-one
SMILES: C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=[N+]=[N-])C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C22H34N2O2
Molecular weight
358.53
Exact mass
358.262
XLogP
4.12
TPSA
73.7
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
100.48

Supplementary Information

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