SMILES:
N#CC(=Cc1ccc(O)c(O)c1)C(N)=SMolecular Processing
Molecular formula
C10H8N2O2S
Molecular weight
220.25
Exact mass
220.0306
XLogP
1.29
TPSA
90.27
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
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
Molar refractivity
60.15
Supplementary Information
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