SMILES:
O=C(O)C(=O)c1ccc(C2CCCCC2)c(I)c1Molecular Processing
Molecular formula
C14H15IO3
Molecular weight
358.17
Exact mass
358.0066
XLogP
3.61
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
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
0.429
Molar refractivity
76.95
Supplementary Information
Details werden geladen…
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