Molecule

ID:48904

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O
Molecular Mass
218.72366
Exact Mass
218.11859092
Charge
0
InChI
InChI=1S/C10H18N2O.ClH/c13-10(9-5-4-6-11-9)12-7-2-1-3-8-12;/h9,11H,1-8H2;1H
InChIKey
DLDZDJKHBWTGNX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)C1CCCN1.Cl
Isomeric Smiles
C(=O)(N1CCCCC1)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.813338
LogD (pH = 7.4)
-1.9646587
Log P
0.39363423
Molar Refractivity
51.8219
Polarizability
20.424976
Polar Surface Area
32.34
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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