Molecule

ID:53695

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClF₃N
Molecular Mass
181.5429296
Exact Mass
180.99061144
Charge
0
InChI
InChI=1S/C6H3ClF3N/c7-5-4(8)3(6(9)10)1-2-11-5/h1-2,6H
InChIKey
KXJSIJWAANCHGT-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccnc(c1F)Cl)F
Isomeric Smiles
c1(c(c(ccn1)C(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1115851
LogD (pH = 7.4)
2.1115851
Log P
2.1115851
Molar Refractivity
35.0676
Polarizability
12.772607
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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