Molecule

ID:47199

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-3-11(2)13-6-4-5-7-14(13)16-12-8-9-15-10-12;/h4-7,11-12,15H,3,8-10H2,1-2H3;1H
InChIKey
QKLQULXTUXTYBO-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC1CNCC1)C.Cl
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.14170721
LogD (pH = 7.4)
0.33875504
Log P
3.0889509
Molar Refractivity
66.604
Polarizability
26.48251
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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