SMILES:
CN1C(=O)CSCC1CC#NMolecular Processing
Molecular formula
C7H10N2OS
Molecular weight
170.24
Exact mass
170.0514
XLogP
0.47
TPSA
44.1
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
44.11
Supplementary Information
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