Molecule

ID:20172

General Information
Structure
Molecular Formula
C₁₄H₁₈F₃NO
Molecular Mass
273.2940296
Exact Mass
273.13404886
Charge
0
InChI
InChI=1S/C14H18F3NO/c15-14(16,17)12-8-11(18)6-7-13(12)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,18H2
InChIKey
NAARRDYZUMTXGC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)OCC1CCCCC1
Isomeric Smiles
c1(C(F)(F)F)c(OCC2CCCCC2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9588711
LogD (pH = 7.4)
3.978524
Log P
3.9787803
Molar Refractivity
68.9403
Polarizability
25.362402
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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