名称: [(6-chloropyridin-3-yl)methyl](methyl)oxido-λ4-sulphanylidenecyanamide
SMILES:
N#CN=S([O-])CCc1ccc(Cl)nc1Molecular Processing
Molecular formula
C8H7ClN3OS-
Molecular weight
228.68
Exact mass
228.0004
XLogP
1.69
TPSA
72.1
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
54
Supplementary Information
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