Molecule

ID:25870

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃IO₃
Molecular Mass
368.16639
Exact Mass
367.99094228
Charge
0
InChI
InChI=1S/C15H13IO3/c1-18-15-7-2-11(9-17)8-12(15)10-19-14-5-3-13(16)4-6-14/h2-9H,10H2,1H3
InChIKey
QAVPZAFVHDMJLZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1ccc(cc1)I)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1ccc(I)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0238233
LogD (pH = 7.4)
4.0238233
Log P
4.0238233
Molar Refractivity
83.5435
Polarizability
31.935274
Polar Surface Area
35.53
Rotatable Bonds
5
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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