SMILES:
CSc1cccc(N)c1C(N)=OMolecular Processing
Molecular formula
C8H10N2OS
Molecular weight
182.25
Exact mass
182.0514
XLogP
1.09
TPSA
69.11
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
51.15
Supplementary Information
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