이름: 3-methyl-4-(2-pyridylazo)-1-(p-sulfophenyl)-2-pyrazolin-5-one
SMILES:
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccccn1Molecular Processing
Molecular formula
C15H13N5O4S
Molecular weight
359.37
Exact mass
359.0688
XLogP
2.2
TPSA
124.65
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
89.39
Supplementary Information
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