Molecule

ID:30536

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-16-14-9-6-12(7-10-14)5-8-13-4-2-3-11-15-13;/h6-7,9-10,13,15H,2-5,8,11H2,1H3;1H
InChIKey
CLAXIJVFUDIFQY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCc2ccc(cc2)OC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21351102
LogD (pH = 7.4)
0.2634203
Log P
3.0172865
Molar Refractivity
66.9374
Polarizability
26.482086
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
No Data Available
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Molecule Details
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References
Bioactivity
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