SMILES:
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=OMolecular Processing
Molecular formula
C13H12ClN3O3S
Molecular weight
325.78
Exact mass
325.0288
XLogP
1.72
TPSA
90.11
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
82.08
Supplementary Information
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