Molecule

ID:21864

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO
Molecular Mass
239.74112
Exact Mass
239.10769188
Charge
0
InChI
InChI=1S/C13H17NO.ClH/c1-2-5-12-9-14(8-11(12)4-1)10-13-6-3-7-15-13;/h1-2,4-5,13H,3,6-10H2;1H
InChIKey
WRPPMPUMCCLKCJ-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CN1Cc2c(C1)cccc2.Cl
Isomeric Smiles
N1(Cc2c(C1)cccc2)CC1OCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.33835813
LogD (pH = 7.4)
1.4200709
Log P
2.0844588
Molar Refractivity
61.41
Polarizability
23.987125
Polar Surface Area
12.47
Rotatable Bonds
2
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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