SMILES:
Cc1ccc(C(=O)N=C=S)cc1Molecular Processing
Molecular formula
C9H7NOS
Molecular weight
177.23
Exact mass
177.0248
XLogP
2.24
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
50.54
Supplementary Information
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