Molecule

ID:21136

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12;/h1-3,6-7,12,14H,4-5,8-11H2;1H
InChIKey
BRNHHCUGSIRUMP-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOc1ccccc1.Cl
Isomeric Smiles
N1CC(CCOc2ccccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.86982
LogD (pH = 7.4)
-0.4937699
Log P
2.3645022
Molar Refractivity
62.0966
Polarizability
24.717371
Polar Surface Area
21.26
Rotatable Bonds
4
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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