SMILES:
CCc1c(I)[nH]c(C=O)c1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C15H14INO3
Molecular weight
383.19
Exact mass
383.0018
XLogP
3.35
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
83.84
Supplementary Information
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