이름: (1-Methyl-1H-1,2,4-triazol-5-yl)methyl methanesulfonate
SMILES:
Cn1ncnc1COS(C)(=O)=OMolecular Processing
Molecular formula
C5H9N3O3S
Molecular weight
191.21
Exact mass
191.0365
XLogP
-0.71
TPSA
74.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
40.64
Supplementary Information
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