Name: crystals
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C35H37NO6
Molecular weight
567.68
Exact mass
567.2621
XLogP
7.02
TPSA
83.09
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.257
Molar refractivity
161.09
Supplementary Information
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