Name: 3C
SMILES:
CNC1CCc2ncsc2C1Molecular Processing
Molecular formula
C8H12N2S
Molecular weight
168.26
Exact mass
168.0721
XLogP
1.22
TPSA
24.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
46.99
Supplementary Information
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