Molecule

ID:47214

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-5-11-6-3-4-7-13(11)15-12-8-9-14-10-12;/h3-4,6-7,12,14H,2,5,8-10H2,1H3;1H
InChIKey
NWVULDYJGWDJAY-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccccc1OC1CNCC1.Cl
Isomeric Smiles
c1(OC2CCNC2)c(CCC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4287893
LogD (pH = 7.4)
0.050082076
Log P
2.8019316
Molar Refractivity
62.0554
Polarizability
24.637285
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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