Name: 16-dehydropregnenolone
SMILES:
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C21H30O2
Molecular weight
314.47
Exact mass
314.2246
XLogP
4.44
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
91.86
Supplementary Information
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