SMILES:
O=C1NCc2c(-c3cccs3)ccc(I)c21Molecular Processing
Molecular formula
C12H8INOS
Molecular weight
341.17
Exact mass
340.9371
XLogP
3.26
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
73.64
Supplementary Information
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