이름: 3-(4-chloro-3-methyl-phenyl)-5-(3-chlorothiophen-2-yl)-[1,2,4]oxadiazole
SMILES:
Cc1cc(-c2noc(-c3sccc3Cl)n2)ccc1ClMolecular Processing
Molecular formula
C13H8Cl2N2OS
Molecular weight
311.19
Exact mass
309.9734
XLogP
5.08
TPSA
38.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
77.8
Supplementary Information
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