SMILES:
CC(C)(C)OC(=O)C1CCCN(CO)c2c1cc(OCc1ccccc1)c1ccccc21Molecular Processing
Molecular formula
C27H31NO4
Molecular weight
433.55
Exact mass
433.2253
XLogP
5.39
TPSA
59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
126.97
Supplementary Information
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