Molecule

ID:46508

General Information
Structure
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-12-5-2-3-7-14(12)16-10-8-13-6-4-9-15-11-13;/h2-3,5,7,13,15H,4,6,8-11H2,1H3;1H
InChIKey
UJLSOCFQXCEUHZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOc2c(C)cccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3563986
LogD (pH = 7.4)
0.019651465
Log P
2.8779235
Molar Refractivity
67.1378
Polarizability
26.484583
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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