Molecule

ID:47328

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO₂
Molecular Mass
299.83614
Exact Mass
299.16520676
Charge
0
InChI
InChI=1S/C16H25NO2.ClH/c1-3-5-13-7-8-15(16(10-13)18-2)19-12-14-6-4-9-17-11-14;/h7-8,10,14,17H,3-6,9,11-12H2,1-2H3;1H
InChIKey
DLXBTKMLDCJUNJ-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(c(c1)OC)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)ccc(c1)CCC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.015509509
LogD (pH = 7.4)
0.6420782
Log P
3.2063777
Molar Refractivity
78.1032
Polarizability
30.824677
Polar Surface Area
30.49
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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