Name: 3-benzyloxy-1,3,5(10)-estratrien-17-one
SMILES:
C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=OMolecular Processing
Molecular formula
C25H28O2
Molecular weight
360.5
Exact mass
360.2089
XLogP
5.69
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
106.84
Supplementary Information
Details werden geladen…
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