Molecule

ID:97122

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈F₃NO
Molecular Mass
273.2940296
Exact Mass
273.13404886
Charge
0
InChI
InChI=1S/C14H18F3NO/c1-4-8-13(2,3)12(19)18-11-7-5-6-10(9-11)14(15,16)17/h5-7,9H,4,8H2,1-3H3,(H,18,19)
InChIKey
JZGSGKPJMMYYGT-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)Nc1cccc(c1)C(F)(F)F)(C)C
Isomeric Smiles
N(c1cc(ccc1)C(F)(F)F)C(=O)C(C)(C)CCC
Calculated Properties
JChem
Acid pKa
13.648782
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.777478
LogD (pH = 7.4)
4.777478
Log P
4.777478
Molar Refractivity
69.7991
Polarizability
25.462393
Polar Surface Area
29.1
Rotatable Bonds
5
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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