이름: compound
SMILES:
CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OCCOMolecular Processing
Molecular formula
C18H27NO4
Molecular weight
321.42
Exact mass
321.194
XLogP
2.79
TPSA
59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
87.91
Supplementary Information
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