Molecule

ID:71996

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O₂
Molecular Mass
234.72306
Exact Mass
234.11350554
Charge
0
InChI
InChI=1S/C10H18N2O2.ClH/c11-12-10(14)8-2-6-1-7(3-8)5-9(13)4-6;/h6-9,13H,1-5,11H2,(H,12,14);1H
InChIKey
QQZAOJOQPDNXJN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CC2CC(CC(C1)C2)O.Cl
Isomeric Smiles
C1C2CC(CC1CC(C2)C(=O)NN)O.Cl
Calculated Properties
JChem
Acid pKa
12.997401
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.047614537
LogD (pH = 7.4)
-0.045132153
Log P
-0.045099374
Molar Refractivity
53.7177
Polarizability
20.965158
Polar Surface Area
75.35
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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