Molecule

ID:13447

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-7(8(10)11)9-5-3-2-4-6-9;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKey
YYSCWMPFKRPNAF-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)N1CCCCC1.Cl
Isomeric Smiles
C1CCCN(C1)C(C(=O)O)C.Cl
Calculated Properties
JChem
Acid pKa
1.9352968
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6433024
LogD (pH = 7.4)
-1.6435429
Log P
-1.6432446
Molar Refractivity
42.7086
Polarizability
16.785397
Polar Surface Area
40.54
Rotatable Bonds
2
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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