Molecule

ID:15350

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12;/h4-7,12,14H,2-3,8-10H2,1H3;1H
InChIKey
CUURDDDGDBNCCU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OCC1CCCNC1.Cl
Isomeric Smiles
C1CC(COc2ccc(cc2)C)CNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7469756
LogD (pH = 7.4)
-0.089388385
Log P
2.4749117
Molar Refractivity
62.438
Polarizability
24.636963
Polar Surface Area
21.26
Rotatable Bonds
3
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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