SMILES:
NCc1cnc(Cl)s1Molecular Processing
Molecular formula
C4H5ClN2S
Molecular weight
148.62
Exact mass
147.9862
XLogP
1.26
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
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
0.25
Molar refractivity
35.02
Supplementary Information
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