Molecule

ID:11673

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄ClNO₃
Molecular Mass
289.79826
Exact Mass
289.14447131
Charge
0
InChI
InChI=1S/C14H23NO3.ClH/c1-6-15(7-2)9-11-10(13(16)17)8-12(18-11)14(3,4)5;/h8H,6-7,9H2,1-5H3,(H,16,17);1H
InChIKey
DTQLDIIBWDVADJ-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1oc(cc1C(=O)O)C(C)(C)C)CC.Cl
Isomeric Smiles
c1c(c(oc1C(C)(C)C)CN(CC)CC)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.8091826
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.0796632
LogD (pH = 7.4)
0.073016986
Log P
0.084237024
Molar Refractivity
72.2884
Polarizability
27.547617
Polar Surface Area
53.68
Rotatable Bonds
6
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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