Molecule

ID:20734

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClFNO
Molecular Mass
243.7050032
Exact Mass
243.08262001
Charge
0
InChI
InChI=1S/C12H15ClFNO/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKey
BPTMSWAKKHHNQI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)OCC1CCCNC1
Isomeric Smiles
c1(cc(ccc1OCC1CNCCC1)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.51365036
LogD (pH = 7.4)
0.14393742
Log P
2.708237
Molar Refractivity
62.418
Polarizability
24.401297
Polar Surface Area
21.26
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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