SMILES:
CNCCSc1cccc2nccn12Molecular Processing
Molecular formula
C10H13N3S
Molecular weight
207.3
Exact mass
207.083
XLogP
1.65
TPSA
29.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
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
0.3
Molar refractivity
59.84
Supplementary Information
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