Molecule

ID:45041

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₃IN
Molecular Mass
307.4394596
Exact Mass
306.88725941
Charge
0
InChI
InChI=1S/C6H2ClF3IN/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H
InChIKey
UMJFHWJPAKXBAA-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1I)C(F)(F)F
Isomeric Smiles
c1(C(F)(F)F)c(c(ncc1)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3865879
LogD (pH = 7.4)
3.386588
Log P
3.386588
Molar Refractivity
49.1034
Polarizability
18.423311
Polar Surface Area
12.89
Rotatable Bonds
1
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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