Molecule

ID:20744

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13;/h1-5,13-14H,6-11H2;1H
InChIKey
PGIQHCJXMIHEQO-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COCc1ccccc1.Cl
Isomeric Smiles
N1CCC(COCc2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.27804
LogD (pH = 7.4)
-0.81728536
Log P
1.9533815
Molar Refractivity
62.5995
Polarizability
24.728235
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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