이름: 6-bromo-4-(3-ethoxy-phenyl)-2-methoxy-quinoline
SMILES:
CCOc1cccc(-c2cc(OC)nc3ccc(Br)cc23)c1Molecular Processing
Molecular formula
C18H16BrNO2
Molecular weight
358.24
Exact mass
357.0364
XLogP
5.07
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
92.6
Supplementary Information
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