Molecule

ID:46589

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10-5-11(2)7-13(6-10)15-9-12-3-4-14-8-12;/h5-7,12,14H,3-4,8-9H2,1-2H3;1H
InChIKey
YOVVGBYQNWJFNI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCC2CNCC2)cc(c1)C.Cl
Isomeric Smiles
N1CC(COc2cc(cc(c2)C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.69580877
LogD (pH = 7.4)
-0.53719884
Log P
2.5437644
Molar Refractivity
62.8782
Polarizability
24.558065
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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