名称: 4-methylpyridine triflate
SMILES:
Cc1cc(N(C)C)nc2sc(C(N)=O)c(N)c12Molecular Processing
Molecular formula
C11H14N4OS
Molecular weight
250.33
Exact mass
250.0888
XLogP
1.35
TPSA
85.24
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
71.61
Supplementary Information
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