Molecule

ID:11637

General Information
Structure
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;/h9-12H,3-8H2,1-2H3;1H
InChIKey
AEFOZQZUQQULBJ-UHFFFAOYSA-N
Canonic Smiles
CC1OC(C)CN(C1)C1CCNCC1.Cl
Isomeric Smiles
N1(CC(OC(C1)C)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3171196
LogD (pH = 7.4)
-2.4076598
Log P
0.44857726
Molar Refractivity
58.0566
Polarizability
23.27968
Polar Surface Area
24.5
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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