Molecule

ID:58718

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁IO₃
Molecular Mass
354.13981
Exact Mass
353.97529221
Charge
0
InChI
InChI=1S/C14H11IO3/c1-17-14(16)10-7-8-13(12(15)9-10)18-11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
GVEOVGCAYLUZEZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)I)Oc1ccccc1
Isomeric Smiles
C(=O)(c1cc(c(Oc2ccccc2)cc1)I)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4059544
LogD (pH = 7.4)
4.4059544
Log P
4.4059544
Molar Refractivity
77.6866
Polarizability
30.192589
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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