Molecule

ID:48934

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉ClN₂O₂
Molecular Mass
234.72306
Exact Mass
234.11350554
Charge
0
InChI
InChI=1S/C10H18N2O2.ClH/c13-10(9-3-1-2-4-11-9)12-5-7-14-8-6-12;/h9,11H,1-8H2;1H
InChIKey
QTMPLCRQSUNTJY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)C1CCCCN1.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)C1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2406607
LogD (pH = 7.4)
-1.7294265
Log P
-0.23066367
Molar Refractivity
53.3554
Polarizability
21.132917
Polar Surface Area
41.57
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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