Molecule

ID:19653

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H14ClNO2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2
InChIKey
MTGVVZQHFZESMO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)OCC1CCCO1
Isomeric Smiles
c1(cc(ccc1OCC1OCCC1)Cl)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0050917
LogD (pH = 7.4)
2.0092292
Log P
2.0092824
Molar Refractivity
60.2811
Polarizability
23.19878
Polar Surface Area
44.48
Rotatable Bonds
3
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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