Molecule

ID:122496

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO
Molecular Mass
239.74112
Exact Mass
239.10769188
Charge
0
InChI
InChI=1S/C13H18ClNO/c1-13(2)9-12(7-8-16-13)15-11-5-3-10(14)4-6-11/h3-6,12,15H,7-9H2,1-2H3
InChIKey
UWKHIRCNTHXSEB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NC1CCOC(C1)(C)C
Isomeric Smiles
C1(OCCC(Nc2ccc(Cl)cc2)C1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.656545
LogD (pH = 7.4)
2.7077131
Log P
2.7084064
Molar Refractivity
68.5891
Polarizability
26.171255
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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