CC(C)Cc1ccc(C(Oc2cccc(C(=O)c3cn(CCCC(=O)O)c4ccccc34)c2)c2ccc(CC(C)C)cc2)cc1
SMILES: CC(C)Cc1ccc(C(Oc2cccc(C(=O)c3cn(CCCC(=O)O)c4ccccc34)c2)c2ccc(CC(C)C)cc2)cc1

Molecular Processing

Molecular formula
C40H43NO4
Molecular weight
601.79
Exact mass
601.3192
XLogP
9.3
TPSA
68.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
45
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
181.12

Supplementary Information

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