Molecule

ID:23947

General Information
Structure
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-2-9(12)8-3-4-10-11(7-8)14-6-5-13-10;/h3-4,7,9H,2,5-6,12H2,1H3;1H
InChIKey
ZDNOQRUYGFPSHZ-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc2c(c1)OCCO2)N.Cl
Isomeric Smiles
c12cc(ccc1OCCO2)C(N)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4526324
LogD (pH = 7.4)
-0.66866696
Log P
1.5512441
Molar Refractivity
54.4316
Polarizability
21.68029
Polar Surface Area
44.48
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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