Molecule

ID:46540

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-2-6-15-8-3-4-9-16(15)18-12-10-14-7-5-11-17-13-14;/h3-4,8-9,14,17H,2,5-7,10-13H2,1H3;1H
InChIKey
DYUYBUIPVZFCSW-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccccc1OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOc2c(CCC)cccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5327387
LogD (pH = 7.4)
0.9087888
Log P
3.7670608
Molar Refractivity
76.3398
Polarizability
30.176039
Polar Surface Area
21.26
Rotatable Bonds
6
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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