SMILES:
O=C(OCc1ccccc1)C1(CI)CCOCC1Molecular Processing
Molecular formula
C14H17IO3
Molecular weight
360.19
Exact mass
360.0222
XLogP
2.96
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.61
Supplementary Information
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