Name: mixture
SMILES:
COc1ccc(Cl)cc1C(=O)Nc1nc(C)c(C(C)=O)s1Molecular Processing
Molecular formula
C14H13ClN2O3S
Molecular weight
324.79
Exact mass
324.0335
XLogP
3.57
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
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
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
82.81
Supplementary Information
Details werden geladen…
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