이름: 2-chloro-4-ethyl-benzothiazole
SMILES:
CCc1cccc2sc(Cl)nc12Molecular Processing
Molecular formula
C9H8ClNS
Molecular weight
197.69
Exact mass
197.0066
XLogP
3.51
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
54.01
Supplementary Information
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