Molecule

ID:20044

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H14ClNO2/c12-10-6-8(13)3-4-11(10)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2
InChIKey
BXBUDXWNITUWFO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)OCC1CCCO1
Isomeric Smiles
c1(cc(N)ccc1OCC1OCCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9809828
LogD (pH = 7.4)
2.0089142
Log P
2.0092824
Molar Refractivity
60.2811
Polarizability
23.222727
Polar Surface Area
44.48
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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