이름: (2S,6R)-2,6-dimethylazepane;hydrochloride
SMILES:
CC1CCCC(NC1)C.ClMolecular Processing
Molecular formula
C8H18ClN
Molecular weight
163.69
Exact mass
163.1128
XLogP
2.21
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
1
Molar refractivity
47.73
Supplementary Information
InChIKey: LSWMZDNDVLRYPQ-WLYNEOFISA-N
동의어
SCHEMBL84170LSWMZDNDVLRYPQ-WLYNEOFISA-Ncis-2,6-dimethylhexahydro-1H-azepine hydrochloride
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