SMILES:
N#CCOC(=O)c1cccnc1SCC#NMolecular Processing
Molecular formula
C10H7N3O2S
Molecular weight
233.25
Exact mass
233.0259
XLogP
1.38
TPSA
86.77
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.47
Supplementary Information
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