SMILES:
CSc1cccc(I)c1Molecular Processing
Molecular formula
C7H7IS
Molecular weight
250.1
Exact mass
249.9313
XLogP
3.01
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
50.94
Supplementary Information
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