Molecule

ID:55264

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClFN₂
Molecular Mass
258.7627032
Exact Mass
258.12990455
Charge
0
InChI
InChI=1S/C13H19FN2.ClH/c1-10(15-2)11-5-6-13(12(14)9-11)16-7-3-4-8-16;/h5-6,9-10,15H,3-4,7-8H2,1-2H3;1H
InChIKey
WQIQBLBXAISDMX-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc(c(c1)F)N1CCCC1)C.Cl
Isomeric Smiles
c1(N2CCCC2)c(cc(cc1)C(NC)C)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.58239007
LogD (pH = 7.4)
0.42878973
Log P
2.604713
Molar Refractivity
65.9108
Polarizability
24.800192
Polar Surface Area
15.27
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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