Name: 5-(3,4-Dichlorobenzyl)-2-methylthio-4-pyrimidone
SMILES:
CSc1ncc(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]1Molecular Processing
Molecular formula
C12H10Cl2N2OS
Molecular weight
301.2
Exact mass
299.9891
XLogP
3.39
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
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
75.91
Supplementary Information
Details werden geladen…
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