Molecule

ID:129091

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO₃
Molecular Mass
293.40118
Exact Mass
293.19909373
Charge
0
InChI
InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
InChIKey
DQKXQSGTHWVTAD-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)OCCCN1CCOCC1
Isomeric Smiles
O(c1ccc(OCCCN2CCOCC2)cc1)CCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.68
LogD (pH = 5.5)
1.27
Log P
2.84
Rotatable Bonds
9
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.06
Polar Surface Area
30.93
Polarizability
35.11
Molar Refractivity
84.82
LOG S
-2.92
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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