Molecule

ID:45040

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃IN
Molecular Mass
321.4660396
Exact Mass
320.90290947
Charge
0
InChI
InChI=1S/C7H4ClF3IN/c8-4-2-5(12)6(13)1-3(4)7(9,10)11/h1-2H,13H2
InChIKey
UIAJGKPIEJXINZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(I)c(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(cc(c(c1)N)I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5550802
LogD (pH = 7.4)
3.5551565
Log P
3.5551574
Molar Refractivity
54.8994
Polarizability
20.2537
Polar Surface Area
26.02
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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