Molecule

ID:131249

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO₂
Molecular Mass
223.74018
Exact Mass
223.13390663
Charge
0
InChI
InChI=1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H
InChIKey
IFRYMHOZFAPYPJ-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)OC(C)(C)C)N)C.Cl
Isomeric Smiles
CCC(C)C(C(=O)OC(C)(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.01506218
LogD (pH = 7.4)
1.6165158
Log P
1.9532063
Molar Refractivity
52.6686
Polarizability
21.43788
Polar Surface Area
52.32
Rotatable Bonds
5
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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