Molecule

ID:47182

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-13-10-4-2-3-5-11(10)14-9-6-7-12-8-9;/h2-5,9,12H,6-8H2,1H3;1H
InChIKey
PBHMIXXPBVOEIW-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC1CNCC1.Cl
Isomeric Smiles
c1(OC2CCNC2)c(OC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9877206
LogD (pH = 7.4)
-1.4772168
Log P
1.2417017
Molar Refractivity
54.2754
Polarizability
21.685764
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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