Molecule

ID:19447

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClF₂N
Molecular Mass
233.6853664
Exact Mass
233.07828357
Charge
0
InChI
InChI=1S/C11H13F2N.ClH/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
InChIKey
OPXNNFWYVBNDBY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)C1CCNCC1.Cl
Isomeric Smiles
c1(cc(ccc1F)C1CCNCC1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8574147
LogD (pH = 7.4)
-0.18758422
Log P
2.3637147
Molar Refractivity
51.9118
Polarizability
19.593098
Polar Surface Area
12.03
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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