名称: N-(2-chloro-benzyl)-2-(2-thienyl)-ethylamine
SMILES:
Clc1ccccc1CNCCc1cccs1Molecular Processing
Molecular formula
C13H14ClNS
Molecular weight
251.78
Exact mass
251.0535
XLogP
3.73
TPSA
12.03
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
16
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
0.231
Molar refractivity
71.18
Supplementary Information
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