SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1OMolecular Processing
Molecular formula
C37H59N3O
Molecular weight
561.9
Exact mass
561.4658
XLogP
11.58
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
24
Heavy atoms
41
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.676
Molar refractivity
176.22
Supplementary Information
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