Molecule

ID:15839

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClFNO₂
Molecular Mass
273.7309832
Exact Mass
273.09318469
Charge
0
InChI
InChI=1S/C13H16FNO2.ClH/c14-12-6-2-1-4-10(12)8-15-7-3-5-11(9-15)13(16)17;/h1-2,4,6,11H,3,5,7-9H2,(H,16,17);1H
InChIKey
LNSZGZOVQOAZRY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)Cc1ccccc1F.Cl
Isomeric Smiles
C1C(CN(CC1)Cc1c(cccc1)F)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.4130788
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.44082168
LogD (pH = 7.4)
-0.4627041
Log P
-0.4395195
Molar Refractivity
63.045
Polarizability
24.204576
Polar Surface Area
40.54
Rotatable Bonds
3
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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