Molecule

ID:19582

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H16ClNO2/c1-2-6-14-7-8-15-11-9(12)4-3-5-10(11)13/h3-5H,2,6-8,13H2,1H3
InChIKey
FGXYVHMJJMTAQN-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOc1c(N)cccc1Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCOCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4161975
LogD (pH = 7.4)
2.4229612
Log P
2.423048
Molar Refractivity
62.3425
Polarizability
23.943666
Polar Surface Area
44.48
Rotatable Bonds
6
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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