Molecule

ID:94698

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FIO₂
Molecular Mass
296.0773732
Exact Mass
295.97095578
Charge
0
InChI
InChI=1S/C9H10FIO2/c1-12-9(13-2)7-4-3-6(11)5-8(7)10/h3-5,9H,1-2H3
InChIKey
XRTGMMWTCFKBPL-UHFFFAOYSA-N
Canonic Smiles
COC(c1ccc(cc1F)I)OC
Isomeric Smiles
Ic1ccc(c(c1)F)C(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1995716
LogD (pH = 7.4)
3.1995716
Log P
3.1995716
Molar Refractivity
56.9851
Polarizability
22.254257
Polar Surface Area
18.46
Rotatable Bonds
3
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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