Nombre: 5-(4-chlorobenzyl)-6-methyl-2-methylthio-4-pyrimidone
SMILES:
CSc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[nH]1Molecular Processing
Molecular formula
C13H13ClN2OS
Molecular weight
280.78
Exact mass
280.0437
XLogP
3.04
TPSA
45.75
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
75.63
Supplementary Information
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