Molecule

ID:29821

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClF₃N
Molecular Mass
181.5429296
Exact Mass
180.99061144
Charge
0
InChI
InChI=1S/C6H3ClF3N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H
InChIKey
YNYROPYZSZBORI-UHFFFAOYSA-N
Canonic Smiles
Clc1cnccc1C(F)(F)F
Isomeric Smiles
c1c(c(ccn1)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.235994
LogD (pH = 7.4)
2.237448
Log P
2.2374666
Molar Refractivity
34.6796
Polarizability
12.752461
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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