이름: 2-(4-chlorobenzyl)perhydroazepine
SMILES:
Clc1ccc(CC2CCCCCN2)cc1Molecular Processing
Molecular formula
C13H18ClN
Molecular weight
223.75
Exact mass
223.1128
XLogP
3.41
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
65.41
Supplementary Information
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