이름: 4,4-dimethyl-1,2,3,4-tetrahydro-7-bromoquinoline
SMILES:
CC1(C)CCNc2cc(Br)ccc21Molecular Processing
Molecular formula
C11H14BrN
Molecular weight
240.14
Exact mass
239.031
XLogP
3.54
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
60.27
Supplementary Information
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