SMILES:
Clc1ccc(OCN=C2SCS2)cc1Molecular Processing
Molecular formula
C9H8ClNOS2
Molecular weight
245.76
Exact mass
244.9736
XLogP
3.47
TPSA
21.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
64.43
Supplementary Information
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