Name: N-(4-Amino-butyl)-N′-naphthalen-1-ylmethyl-butane-1,4-diamine trihydrochloride
SMILES:
Cl.Cl.Cl.NCCCCNCCCCNCc1cccc2ccccc12Molecular Processing
Molecular formula
C19H32Cl3N3
Molecular weight
408.85
Exact mass
407.1662
XLogP
4.3
TPSA
50.08
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
4
Fraction Csp3
0.474
Molar refractivity
117.79
Supplementary Information
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