Molecule

ID:69938

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₂
Molecular Mass
243.72982
Exact Mass
243.1026065
Charge
0
InChI
InChI=1S/C12H17NO2.ClH/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-;/m0./s1
InChIKey
PTFKZMFFSIYCOV-MERQFXBCSA-N
Canonic Smiles
CCOC(=O)[C@H](CCc1ccccc1)N.Cl
Isomeric Smiles
C(=O)([C@H](CCc1ccccc1)N)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.300191
LogD (pH = 7.4)
1.7974918
Log P
2.0248857
Molar Refractivity
59.235
Polarizability
23.668816
Polar Surface Area
52.32
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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