名称: Arecaidine hydrochloride
SMILES:
C[NH+]1CCC=C(C(=O)O)C1.[Cl-]Molecular Processing
Molecular formula
C7H12ClNO2
Molecular weight
177.63
Exact mass
177.0557
XLogP
-4.08
TPSA
41.74
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.571
Molar refractivity
36.96
Supplementary Information
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