이름: ethyl 5-bromoquinoline-3-carboxylate
SMILES:
CCOC(=O)c1cnc2cccc(Br)c2c1Molecular Processing
Molecular formula
C12H10BrNO2
Molecular weight
280.12
Exact mass
278.9895
XLogP
3.17
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
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
65.4
Supplementary Information
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