Molecule

ID:55263

General Information
Structure
Molecular Formula
C₁₂H₁₈ClFN₂
Molecular Mass
244.7361232
Exact Mass
244.11425449
Charge
0
InChI
InChI=1S/C12H17FN2.ClH/c1-9(14)10-4-5-12(11(13)8-10)15-6-2-3-7-15;/h4-5,8-9H,2-3,6-7,14H2,1H3;1H
InChIKey
LLHORQVYVRFMGZ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCCC1)C(N)C.Cl
Isomeric Smiles
c1(N2CCCC2)c(cc(cc1)C(N)C)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.83074105
LogD (pH = 7.4)
-0.0349005
Log P
2.1721325
Molar Refractivity
61.1362
Polarizability
22.958925
Polar Surface Area
29.26
Rotatable Bonds
2
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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