Molecule

ID:43796

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃INO
Molecular Mass
341.0683596
Exact Mass
340.95244651
Charge
0
InChI
InChI=1S/C10H7F3INO/c1-16-9-2-5-7(14)4-15-8(5)3-6(9)10(11,12)13/h2-4,15H,1H3
InChIKey
XATNKZPTOXCYNE-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(I)c[nH]c2cc1C(F)(F)F
Isomeric Smiles
c1(C(F)(F)F)cc2c(cc1OC)c(c[nH]2)I
Calculated Properties
JChem
Acid pKa
15.181288
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7211294
LogD (pH = 7.4)
3.7211294
Log P
3.7211294
Molar Refractivity
62.9439
Polarizability
24.524519
Polar Surface Area
25.02
Rotatable Bonds
2
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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