Molecule

ID:48917

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O₂
Molecular Mass
234.72306
Exact Mass
234.11350554
Charge
0
InChI
InChI=1S/C10H18N2O2.ClH/c13-8-3-6-12(7-4-8)10(14)9-2-1-5-11-9;/h8-9,11,13H,1-7H2;1H
InChIKey
KUOFEUTVZQFUON-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)C(=O)C1CCCN1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)O)C1NCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.177588
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.3456445
LogD (pH = 7.4)
-3.4969645
Log P
-1.1386724
Molar Refractivity
53.4042
Polarizability
21.0622
Polar Surface Area
52.57
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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