SMILES:
CCOC(=O)C(I)c1ccc2cc(OC)ccc2c1Molecular Processing
Molecular formula
C15H15IO3
Molecular weight
370.19
Exact mass
370.0066
XLogP
3.89
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
83.89
Supplementary Information
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