이름: 5-bromo-6-(cyclopropylmethoxy)-pyridine-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1ccc(Br)c(OCC2CC2)n1Molecular Processing
Molecular formula
C11H12BrNO3
Molecular weight
286.13
Exact mass
285.0001
XLogP
2.42
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
61.5
Supplementary Information
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