Molecule

ID:19463

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10-9-12(15-2)3-4-13(10)11-5-7-14-8-6-11;/h3-4,9,11,14H,5-8H2,1-2H3;1H
InChIKey
JUGIYZPJSVTEIR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C)C1CCNCC1.Cl
Isomeric Smiles
c1(ccc(cc1C)OC)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7891137
LogD (pH = 7.4)
-0.15320607
Log P
2.4340608
Molar Refractivity
62.9834
Polarizability
24.555372
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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