COC(=O)c1nc(Br)ccc1OCCOc1ccccc1
名称: Methyl 6-bromo-3-(2-phenoxyethoxy)picolinate
SMILES: COC(=O)c1nc(Br)ccc1OCCOc1ccccc1

Molecular Processing

Molecular formula
C15H14BrNO4
Molecular weight
352.18
Exact mass
351.0106
XLogP
3.09
TPSA
57.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
80.71

Supplementary Information

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