名称: crude title compound
SMILES:
Cc1coc(NC(=S)Nc2ccc(Cl)cc2C)n1Molecular Processing
Molecular formula
C12H12ClN3OS
Molecular weight
281.77
Exact mass
281.039
XLogP
3.75
TPSA
50.09
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
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
77.27
Supplementary Information
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