SMILES:
CC(C)NCC1(O)COc2ccc(O)cc2OC1Molecular Processing
Molecular formula
C13H19NO4
Molecular weight
253.3
Exact mass
253.1314
XLogP
0.89
TPSA
70.95
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
67.19
Supplementary Information
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