Name: 3,17β-dihydroxyestra-1,3,5(10)-triene-4-carboxaldehyde
SMILES:
C[C@]12CC[C@@H]3c4ccc(O)c(C=O)c4CC[C@H]3[C@@H]1CC[C@@H]2OMolecular Processing
Molecular formula
C19H24O3
Molecular weight
300.4
Exact mass
300.1725
XLogP
3.42
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
84.12
Supplementary Information
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