Molecule

ID:76297

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-13-10-4-2-9(3-5-10)11-8-14-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H
InChIKey
XQZMRYIDFXCERH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1NCCOC1.Cl
Isomeric Smiles
O1CCNC(c2ccc(cc2)OC)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0244669
LogD (pH = 7.4)
0.6825923
Log P
1.21519
Molar Refractivity
54.5139
Polarizability
21.695614
Polar Surface Area
30.49
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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