Название: 4,4-dibromo-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
SMILES:
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1(Br)BrMolecular Processing
Molecular formula
C10H8Br2N2O4S
Molecular weight
412.06
Exact mass
409.8572
XLogP
2.14
TPSA
87.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
77.44
Supplementary Information
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