Molecule

ID:98949

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;/h1-4,13-14H,5-8H2;1H
InChIKey
XWAMSNBDXDQRRN-UHFFFAOYSA-N
Canonic Smiles
OC1(CCNCC1)c1ccc(cc1)F.Cl
Isomeric Smiles
Fc1ccc(cc1)C1(CCNCC1)O.Cl
Calculated Properties
JChem
Acid pKa
13.969317
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2399547
LogD (pH = 7.4)
-1.065522
Log P
0.9161249
Molar Refractivity
53.1363
Polarizability
20.603489
Polar Surface Area
32.26
Rotatable Bonds
1
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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