Name: 3β-hydroxy-estr-5-en-17-one
SMILES:
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@H]43)[C@@H]1CCC2=OMolecular Processing
Molecular formula
C18H26O2
Molecular weight
274.4
Exact mass
274.1933
XLogP
3.49
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
78.1
Supplementary Information
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