Molecule

ID:41471

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FIN₂O₂
Molecular Mass
360.1228732
Exact Mass
359.97710379
Charge
0
InChI
InChI=1S/C12H10FIN2O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKey
CVNIAZNGEPUBBX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1I)c1ccc(cc1)F
Isomeric Smiles
c1(c(cnn1c1ccc(cc1)F)C(=O)OCC)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.520502
LogD (pH = 7.4)
3.5205035
Log P
3.5205035
Molar Refractivity
73.0714
Polarizability
28.70516
Polar Surface Area
44.12
Rotatable Bonds
4
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
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References
Bioactivity
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