이름: 2-bromo-1-(4-methoxyphenyl)-2-(3-pyridyl)ethanone hydrobromide
SMILES:
Br.COc1ccc(C(=O)C(Br)c2cccnc2)cc1Molecular Processing
Molecular formula
C14H13Br2NO2
Molecular weight
387.07
Exact mass
384.9313
XLogP
3.99
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.143
Molar refractivity
83.55
Supplementary Information
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