Molecule

ID:19723

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆F₃NO
Molecular Mass
295.2995496
Exact Mass
295.1183988
Charge
0
InChI
InChI=1S/C16H16F3NO/c17-16(18,19)13-8-9-15(14(20)11-13)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,20H2
InChIKey
RWXYGZKHPKFMPE-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1OCCCc1ccccc1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)OCCCc1ccccc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3184795
LogD (pH = 7.4)
4.322153
Log P
4.3222003
Molar Refractivity
77.1639
Polarizability
28.179825
Polar Surface Area
35.25
Rotatable Bonds
6
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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