Molecule

ID:46264

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClNO₂
Molecular Mass
311.84684
Exact Mass
311.16520676
Charge
0
InChI
InChI=1S/C17H25NO2.ClH/c1-3-5-14-7-8-16(17(12-14)19-2)20-11-9-15-6-4-10-18-13-15;/h3,7-8,12,15,18H,1,4-6,9-11,13H2,2H3;1H
InChIKey
PUMQHMKOFVSBRA-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)OC)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(ccc(c1)CC=C)OCCC1CNCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.07107946
LogD (pH = 7.4)
0.44712955
Log P
3.3054016
Molar Refractivity
82.8471
Polarizability
32.50897
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
No Data Available
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Molecule Details
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References
Bioactivity
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