C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O
Name: 1,5-androstadiene-3β,17β-diol
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O

Molecular Processing

Molecular formula
C19H28O2
Molecular weight
288.43
Exact mass
288.2089
XLogP
3.45
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
83.62

Supplementary Information

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