Molecule

ID:51627

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClFIN₂
Molecular Mass
326.5370332
Exact Mass
325.9483022
Charge
0
InChI
InChI=1S/C9H9ClFIN2/c10-8-6(12)5-7(13-9(8)11)14-3-1-2-4-14/h5H,1-4H2
InChIKey
UDLXXFMEOMFIIQ-UHFFFAOYSA-N
Canonic Smiles
Clc1c(I)cc(nc1F)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1I)N1CCCC1)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.933494
LogD (pH = 7.4)
3.933494
Log P
3.933494
Molar Refractivity
65.5826
Polarizability
24.23191
Polar Surface Area
16.13
Rotatable Bonds
1
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
References
Bioactivity
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