Molecule

ID:12867

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNO
Molecular Mass
215.71972
Exact Mass
215.10769188
Charge
0
InChI
InChI=1S/C11H17NO.ClH/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10;/h6-7,9,11-12H,1-5,8H2;1H
InChIKey
DANMOFJBKXRGJK-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)NCc1cocc1.Cl
Isomeric Smiles
c1c(coc1)CNC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.682212
LogD (pH = 7.4)
0.5036413
Log P
2.4711106
Molar Refractivity
52.8336
Polarizability
20.879097
Polar Surface Area
25.17
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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