Name: 1-(2-chloro-benzylidene)-piperidinium chloride
SMILES:
Clc1ccccc1C=[N+]1CCCCC1.[Cl-]Molecular Processing
Molecular formula
C12H15Cl2N
Molecular weight
244.16
Exact mass
243.0582
XLogP
-0.04
TPSA
3.01
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
60.46
Supplementary Information
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