Molecule

ID:46634

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO₂
Molecular Mass
299.83614
Exact Mass
299.16520676
Charge
0
InChI
InChI=1S/C16H25NO2.ClH/c1-2-12-18-15-3-5-16(6-4-15)19-13-9-14-7-10-17-11-8-14;/h3-6,14,17H,2,7-13H2,1H3;1H
InChIKey
IPZNPPRDHSOLCY-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2ccc(cc2)OCCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.22337824
LogD (pH = 7.4)
0.23301172
Log P
3.0082076
Molar Refractivity
77.9094
Polarizability
30.902084
Polar Surface Area
30.49
Rotatable Bonds
7
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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