Molecule

ID:7430

General Information
Structure
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Molecular Formula
C₆H₃ClF₃N
Molecular Mass
181.5429296
Exact Mass
180.99061144
Charge
0
InChI
InChI=1S/C6H3ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
InChIKey
GBNPVXZNWBWNEN-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C(F)(F)F
Isomeric Smiles
c1cnc(cc1C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4576335
LogD (pH = 7.4)
2.4576435
Log P
2.4576437
Molar Refractivity
35.7409
Polarizability
12.781513
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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