이름: 2-(3-bromo-phenyl)-6-chloro-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline
SMILES:
CC1(C)CC(c2cccc(Br)c2)Nc2ccc(Cl)cc21Molecular Processing
Molecular formula
C17H17BrClN
Molecular weight
350.69
Exact mass
349.0233
XLogP
5.94
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
89.6
Supplementary Information
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