Molecule

ID:9918

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁IO
Molecular Mass
310.13031
Exact Mass
309.98546297
Charge
0
InChI
InChI=1S/C13H11IO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
MPWFGAWFTAZWKZ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1cc(ccc1OCc1ccccc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.468992
LogD (pH = 7.4)
4.468992
Log P
4.468992
Molar Refractivity
70.4963
Polarizability
27.433302
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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