CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc4c(c3)OCO4)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1
SMILES: CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc4c(c3)OCO4)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

Molecular Processing

Molecular formula
C37H33NO6
Molecular weight
587.67
Exact mass
587.2308
XLogP
7.29
TPSA
74.3
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.243
Molar refractivity
167.12

Supplementary Information

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