Molecule

ID:9261

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₃NO
Molecular Mass
267.2463896
Exact Mass
267.08709867
Charge
0
InChI
InChI=1S/C14H12F3NO/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17/h2-9,18H,1H3
InChIKey
VODIERGLAGAWQU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
N(c1ccc(cc1)OC)c1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1333194
LogD (pH = 7.4)
4.1333485
Log P
4.133349
Molar Refractivity
66.9811
Polarizability
24.60121
Polar Surface Area
21.26
Rotatable Bonds
4
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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