CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc4c(c3)OCO4)c3ccc(O)c(C(=O)O)c3)cc2)cc1
SMILES: CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc4c(c3)OCO4)c3ccc(O)c(C(=O)O)c3)cc2)cc1

Molecular Processing

Molecular formula
C34H29NO6
Molecular weight
547.61
Exact mass
547.1995
XLogP
6.41
TPSA
96.3
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
155.62

Supplementary Information

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