C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O
Name: Androst-4-ene-3β,17β,19-triol
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O

Molecular Processing

Molecular formula
C19H30O3
Molecular weight
306.45
Exact mass
306.2195
XLogP
2.64
TPSA
60.69
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.895
Molar refractivity
85.13

Supplementary Information

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