SMILES:
COc1ccc(-c2nc(C(=O)N3CCc4c(ccc(O)c4O)C3)c3ccccc3n2)cc1Molecular Processing
Molecular formula
C25H21N3O4
Molecular weight
427.46
Exact mass
427.1532
XLogP
3.92
TPSA
95.78
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
32
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
0.16
Molar refractivity
119.74
Supplementary Information
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