SMILES:
COc1cc2nc(CCC(C)C)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2cc1OCMolecular Processing
Molecular formula
C28H30N2O4
Molecular weight
458.56
Exact mass
458.2206
XLogP
6.06
TPSA
73.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
133.94
Supplementary Information
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