이름: (4-tert-butyl-benzyl)-[2-(3-chloro-4-fluoro-phenyl)-ethyl]-amine
SMILES:
CC(C)(C)c1ccc(CNCCc2ccc(F)c(Cl)c2)cc1Molecular Processing
Molecular formula
C19H23ClFN
Molecular weight
319.85
Exact mass
319.1503
XLogP
5.11
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
91.96
Supplementary Information
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