Molecule

ID:45844

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O
Molecular Mass
218.72366
Exact Mass
218.11859092
Charge
0
InChI
InChI=1S/C10H18N2O.ClH/c13-10(8-2-1-3-8)12-9-4-6-11-7-5-9;/h8-9,11H,1-7H2,(H,12,13);1H
InChIKey
VZUFQIRXZWZSAI-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)C1CCC1.Cl
Calculated Properties
JChem
Acid pKa
16.00165
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.158695
LogD (pH = 7.4)
-2.4743867
Log P
0.061510816
Molar Refractivity
51.5192
Polarizability
20.424976
Polar Surface Area
41.13
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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