Molecule

ID:15367

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClF₂NO
Molecular Mass
263.7113464
Exact Mass
263.08884826
Charge
0
InChI
InChI=1S/C12H15F2NO.ClH/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9;/h3-4,6,9,15H,1-2,5,7-8H2;1H
InChIKey
VOQANZVYRGVTET-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)OCC1CCCNC1.Cl
Isomeric Smiles
c1(cc(OCC2CNCCC2)ccc1F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9749931
LogD (pH = 7.4)
-0.3174059
Log P
2.2468941
Molar Refractivity
57.8296
Polarizability
22.216576
Polar Surface Area
21.26
Rotatable Bonds
3
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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