SMILES:
C=CCCCSc1nc[nH]n1Molecular Processing
Molecular formula
C7H11N3S
Molecular weight
169.25
Exact mass
169.0674
XLogP
1.86
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
11
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
0.429
Molar refractivity
46.54
Supplementary Information
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