SMILES:
CC1(C)OCc2cc(C3CN(CCc4ccc(OCCO)cc4)C(=O)O3)ccc2O1Molecular Processing
Molecular formula
C23H27NO6
Molecular weight
413.47
Exact mass
413.1838
XLogP
3.44
TPSA
77.46
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
109.46
Supplementary Information
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