名称: title compound
SMILES:
CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)(C#Cc1ccccc1)CCO2Molecular Processing
Molecular formula
C22H29NO4
Molecular weight
371.48
Exact mass
371.2097
XLogP
3.35
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
103.23
Supplementary Information
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