Molecule

ID:13265

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClFNO
Molecular Mass
243.7050032
Exact Mass
243.08262001
Charge
0
InChI
InChI=1S/C12H15ClFNO/c13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9/h1,4-5,9,15H,2-3,6-8H2
InChIKey
OABLOMURHFGCKX-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1CNCC1CCCO1)Cl
Isomeric Smiles
c1ccc(c(c1F)CNCC1CCCO1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.25556615
LogD (pH = 7.4)
1.9889176
Log P
2.6969302
Molar Refractivity
62.5819
Polarizability
24.42208
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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