Molecule

ID:31148

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClFNO₂
Molecular Mass
233.6671232
Exact Mass
233.06188456
Charge
0
InChI
InChI=1S/C10H12FNO2.ClH/c1-12(7-10(13)14)6-8-2-4-9(11)5-3-8;/h2-5H,6-7H2,1H3,(H,13,14);1H
InChIKey
LMXCBLIUYLQIEA-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccc(cc1)F)CC(=O)O.Cl
Isomeric Smiles
C(=O)(CN(Cc1ccc(F)cc1)C)O.Cl
Calculated Properties
JChem
Acid pKa
1.2961373
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.193921
LogD (pH = 7.4)
-1.2006743
Log P
-1.1939101
Molar Refractivity
50.9017
Polarizability
19.426998
Polar Surface Area
40.54
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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