Name: Ethanesulfonic acid (6-chloro-5-p-tolyl-pyrimidin-4-yl)-amide
SMILES:
CCS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(C)cc1Molecular Processing
Molecular formula
C13H14ClN3O2S
Molecular weight
311.79
Exact mass
311.0495
XLogP
2.87
TPSA
71.95
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
80.3
Supplementary Information
Details werden geladen…
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