名称: 3,4dihydroisoquinoline hydrochloride
SMILES:
C1=NCCc2ccccc21.ClMolecular Processing
Molecular formula
C9H10ClN
Molecular weight
167.64
Exact mass
167.0502
XLogP
2.08
TPSA
12.36
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
49.86
Supplementary Information
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