Molecule

ID:33883

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂FN₂
Molecular Mass
281.1970632
Exact Mass
280.0909322
Charge
0
InChI
InChI=1S/C12H17FN2.2ClH/c13-12-4-2-1-3-10(12)9-15-7-5-11(14)6-8-15;;/h1-4,11H,5-9,14H2;2*1H
InChIKey
HUUXUEJYEJNIOX-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1ccccc1F.Cl.Cl
Isomeric Smiles
N1(Cc2c(F)cccc2)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3045623
LogD (pH = 7.4)
-1.5954629
Log P
1.2685223
Molar Refractivity
60.1989
Polarizability
23.346125
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
No Data Available
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Molecule Details
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References
Bioactivity
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