SMILES:
COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)n(C)c2cc1OC.ClMolecular Processing
Molecular formula
C19H23ClN4O4
Molecular weight
406.87
Exact mass
406.1408
XLogP
2.57
TPSA
72.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.368
Molar refractivity
107.89
Supplementary Information
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