Molecule

ID:46506

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-3-12(2)14-6-4-5-7-15(14)17-11-13-8-9-16-10-13;/h4-7,12-13,16H,3,8-11H2,1-2H3;1H
InChIKey
TVTHKTKZYXBBOV-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCC1CNCC1)C.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)cccc1)C(CC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.033073734
LogD (pH = 7.4)
0.12553619
Log P
3.2064993
Molar Refractivity
71.5876
Polarizability
28.328909
Polar Surface Area
21.26
Rotatable Bonds
5
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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