Name: N-(4-Amino-butyl)-N′-pyren-1-ylmethyl-butane-1,4-diamine trihydrochloride
SMILES:
Cl.Cl.Cl.NCCCCNCCCCNCc1ccc2ccc3cccc4ccc1c2c34Molecular Processing
Molecular formula
C25H34Cl3N3
Molecular weight
482.93
Exact mass
481.1818
XLogP
6.05
TPSA
50.08
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
4
Fraction Csp3
0.36
Molar refractivity
143.99
Supplementary Information
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