Molecule

ID:25182

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-2-9-5-3-4-7-11(9)8-6-10(12)13;/h9H,2-8H2,1H3,(H,12,13);1H
InChIKey
GWHWAGQBBBJYJT-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1CCC(=O)O.Cl
Isomeric Smiles
N1(CCC(=O)O)CCCCC1CC.Cl
Calculated Properties
JChem
Acid pKa
4.038083
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0480574
LogD (pH = 7.4)
-1.0363084
Log P
-1.0363622
Molar Refractivity
51.8569
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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