Molecule

ID:46597

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-11-4-3-5-13(8-11)15-10-12-6-7-14-9-12;/h3-5,8,12,14H,2,6-7,9-10H2,1H3;1H
InChIKey
BWVVMUSUTRLYNN-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2cc(ccc2)CC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7646615
LogD (pH = 7.4)
-0.60605156
Log P
2.4749117
Molar Refractivity
62.438
Polarizability
24.636786
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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