Molecule

ID:20667

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-3,6-7,11,13H,4-5,8-10H2;1H
InChIKey
DQNAJGWNSVFMAN-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1ccccc1.Cl
Isomeric Smiles
N1CC(COc2ccccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.260397
LogD (pH = 7.4)
-0.6028098
Log P
1.9614903
Molar Refractivity
57.3968
Polarizability
22.871304
Polar Surface Area
21.26
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
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Molecule Details
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References
Bioactivity
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