SMILES:
N#Cc1nc2ccc(O)cc2s1Molecular Processing
Molecular formula
C8H4N2OS
Molecular weight
176.2
Exact mass
176.0044
XLogP
1.87
TPSA
56.91
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
46
Supplementary Information
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