Molecule

ID:46635

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO₂
Molecular Mass
299.83614
Exact Mass
299.16520676
Charge
0
InChI
InChI=1S/C16H25NO2.ClH/c1-2-11-18-15-5-7-16(8-6-15)19-12-9-14-4-3-10-17-13-14;/h5-8,14,17H,2-4,9-13H2,1H3;1H
InChIKey
VSVKOZYBXDVILU-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOc2ccc(cc2)OCCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14816092
LogD (pH = 7.4)
0.22788917
Log P
3.0861611
Molar Refractivity
77.8324
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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