CC(C)(C)OC(=O)c1sc(-c2ccccc2)cc1I
SMILES: CC(C)(C)OC(=O)c1sc(-c2ccccc2)cc1I

Molecular Processing

Molecular formula
C15H15IO2S
Molecular weight
386.25
Exact mass
385.9837
XLogP
4.98
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
87.64

Supplementary Information

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