이름: 3-bromo-5-[hydroxy(phenyl)methyl]-1H-pyridin-4-one
SMILES:
C1=CC=C(C=C1)C(C2=CNC=C(C2=O)Br)OMolecular Processing
Molecular formula
C12H10BrNO2
Molecular weight
280.12
Exact mass
278.9895
XLogP
2.22
TPSA
53.09
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
65.27
Supplementary Information
InChIKey: WFBZHRHOFZNWEO-UHFFFAOYSA-N
동의어
SCHEMBL1137096SCHEMBL1192084WFBZHRHOFZNWEO-UHFFFAOYSA-N3-bromo-5-(hydroxy(phenyl)methyl)pyridin4-ol3-Bromo-5-(hydroxy(phenyl)methyl)pyridin-4-ol
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