Molecule

ID:15584

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c12-10(13)6-5-9-11-7-3-1-2-4-8-11;/h1-9H2,(H,12,13);1H
InChIKey
KBDBBYNOTFNKRM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCN1CCCCCC1.Cl
Isomeric Smiles
C1CCCN(CC1)CCCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.5003815
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2757429
LogD (pH = 7.4)
-1.2424371
Log P
-1.2429003
Molar Refractivity
52.2701
Polarizability
20.459267
Polar Surface Area
40.54
Rotatable Bonds
4
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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