Molecule

ID:55698

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂ClNO
Molecular Mass
231.76218
Exact Mass
231.13899201
Charge
0
InChI
InChI=1S/C12H21NO.ClH/c1-13(2)11-4-9-3-10(5-11)7-12(14,6-9)8-11;/h9-10,14H,3-8H2,1-2H3;1H
InChIKey
QOJXFSWTZHAEBD-UHFFFAOYSA-N
Canonic Smiles
CN(C12CC3CC(C1)CC(C2)(C3)O)C.Cl
Isomeric Smiles
C1C2CC3(CC1CC(C2)(C3)O)N(C)C.Cl
Calculated Properties
JChem
Acid pKa
14.704894
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5732007
LogD (pH = 7.4)
-1.7283
Log P
0.89357466
Molar Refractivity
57.2434
Polarizability
22.79212
Polar Surface Area
23.47
Rotatable Bonds
1
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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