Molecule

ID:46360

General Information
Structure
Molecular Formula
C₁₄H₂₁ClFNO
Molecular Mass
273.7740432
Exact Mass
273.1295702
Charge
0
InChI
InChI=1S/C14H20FNO.ClH/c15-14-6-2-1-5-13(14)11-17-9-7-12-4-3-8-16-10-12;/h1-2,5-6,12,16H,3-4,7-11H2;1H
InChIKey
DTXPTCYYFXKRNT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1COCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(F)cccc1)COCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6936703
LogD (pH = 7.4)
-0.3176274
Log P
2.540652
Molar Refractivity
67.4169
Polarizability
26.193218
Polar Surface Area
21.26
Rotatable Bonds
5
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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