SMILES:
COc1cc(N=C=S)c(C#N)cc1ClMolecular Processing
Molecular formula
C9H5ClN2OS
Molecular weight
224.67
Exact mass
223.9811
XLogP
2.95
TPSA
45.38
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
57.41
Supplementary Information
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