Name: estrone methyl ether
SMILES:
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12Molecular Processing
Molecular formula
C19H24O2
Molecular weight
284.4
Exact mass
284.1776
XLogP
4.12
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
82.62
Supplementary Information
Details werden geladen…
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