Molecule

ID:95386

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClFNO
Molecular Mass
243.7050032
Exact Mass
243.08262001
Charge
0
InChI
InChI=1S/C12H15ClFNO/c1-12(2,8-13)11(16)15-7-9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKey
MLBXAUSLTIZZIH-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)NCc1ccccc1F)(C)C
Isomeric Smiles
N(C(=O)C(CCl)(C)C)Cc1c(cccc1)F
Calculated Properties
JChem
Acid pKa
13.23034
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.93392
LogD (pH = 7.4)
2.9339194
Log P
2.93392
Molar Refractivity
62.7197
Polarizability
24.09938
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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