Molecule

ID:55262

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClFN₂O
Molecular Mass
274.7621032
Exact Mass
274.12481917
Charge
0
InChI
InChI=1S/C13H19FN2O.ClH/c1-10(15-2)11-3-4-13(12(14)9-11)16-5-7-17-8-6-16;/h3-4,9-10,15H,5-8H2,1-2H3;1H
InChIKey
AFVOZERJPIASTM-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc(c(c1)F)N1CCOCC1)C.Cl
Isomeric Smiles
c1(N2CCOCC2)c(cc(cc1)C(NC)C)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2063841
LogD (pH = 7.4)
-0.19322605
Log P
1.980415
Molar Refractivity
67.4443
Polarizability
25.501143
Polar Surface Area
24.5
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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