Molecule

ID:62307

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄ClNO₂
Molecular Mass
261.78816
Exact Mass
261.14955669
Charge
0
InChI
InChI=1S/C13H23NO2.ClH/c15-13(16)10-11-6-8-14(9-7-11)12-4-2-1-3-5-12;/h11-12H,1-10H2,(H,15,16);1H
InChIKey
NIZTUWPDLLQASG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCN(CC1)C1CCCCC1.Cl
Isomeric Smiles
N1(CCC(CC(=O)O)CC1)C1CCCCC1.Cl
Calculated Properties
JChem
Acid pKa
4.389552
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5060902
LogD (pH = 7.4)
-0.48013481
Log P
-0.48038697
Molar Refractivity
63.9593
Polarizability
25.252401
Polar Surface Area
40.54
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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