SMILES:
CCN(CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12.Cl.ClMolecular Processing
Molecular formula
C21H29Cl3N4O
Molecular weight
459.85
Exact mass
458.1407
XLogP
5.82
TPSA
50.28
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.429
Molar refractivity
128.61
Supplementary Information
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