Molecule

ID:19713

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈F₃NO
Molecular Mass
273.2940296
Exact Mass
273.13404886
Charge
0
InChI
InChI=1S/C14H18F3NO/c15-14(16,17)11-6-7-13(12(18)8-11)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,18H2
InChIKey
XGNCPEGHVOTZSQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1OCC1CCCCC1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(OCC2CCCCC2)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.975134
LogD (pH = 7.4)
3.9787343
Log P
3.9787803
Molar Refractivity
68.9403
Polarizability
25.363613
Polar Surface Area
35.25
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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