Molecule

ID:7686

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClF₃N
Molecular Mass
231.6016096
Exact Mass
231.00626151
Charge
0
InChI
InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H
InChIKey
LLRQVSZVVAKRJA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1ccc(c2)C(F)(F)F
Isomeric Smiles
c1cnc2c(c1Cl)ccc(c2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.61195
LogD (pH = 7.4)
3.612783
Log P
3.6127937
Molar Refractivity
50.7578
Polarizability
19.885515
Polar Surface Area
12.89
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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