Molecule

ID:15841

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClFNO₂
Molecular Mass
273.7309832
Exact Mass
273.09318469
Charge
0
InChI
InChI=1S/C13H16FNO2.ClH/c14-12-4-2-1-3-11(12)9-15-7-5-10(6-8-15)13(16)17;/h1-4,10H,5-9H2,(H,16,17);1H
InChIKey
ZWAVHFIWTJLISF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)Cc1ccccc1F.Cl
Isomeric Smiles
C1(CCN(CC1)Cc1c(cccc1)F)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.7610173
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5984554
LogD (pH = 7.4)
-0.62740177
Log P
-0.5950325
Molar Refractivity
63.199
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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