Molecule

ID:92099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈BrNO₆
Molecular Mass
328.15702
Exact Mass
327.0317493
Charge
0
InChI
InChI=1S/C10H18BrNO6/c11-7-9(13)12-1-2-16-3-4-17-5-6-18-8-10(14)15/h1-8H2,(H,12,13)(H,14,15)
InChIKey
YTQSICXMSXKITM-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)NCCOCCOCCOCC(=O)O
Isomeric Smiles
BrCC(=O)NCCOCCOCCOCC(=O)O
Calculated Properties
JChem
Acid pKa
3.618135
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.6245768
LogD (pH = 7.4)
-4.083342
Log P
-0.7467164
Molar Refractivity
66.3144
Polarizability
26.106142
Polar Surface Area
94.09
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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