الاسم: 1-methyl-3-bromo-5-pyrazolone
SMILES:
Cn1[nH]c(Br)cc1=OMolecular Processing
Molecular formula
C4H5BrN2O
Molecular weight
177
Exact mass
175.9585
XLogP
0.48
TPSA
37.79
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
33.73
Supplementary Information
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