Molecule

ID:20952

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10-3-4-11(2)13(9-10)15-12-5-7-14-8-6-12;/h3-4,9,12,14H,5-8H2,1-2H3;1H
InChIKey
CLZIRYZAJPCXKN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1OC1CCNCC1)C.Cl
Isomeric Smiles
c1(OC2CCNCC2)cc(ccc1C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7212232
LogD (pH = 7.4)
0.12309553
Log P
2.4861755
Molar Refractivity
62.76
Polarizability
24.558388
Polar Surface Area
21.26
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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