Molecule

ID:10794

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈B₂O₆
Molecular Mass
243.85762
Exact Mass
244.1289491
Charge
0
InChI
InChI=1S/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2
InChIKey
FZNHHPNJQSIEPT-UHFFFAOYSA-N
Canonic Smiles
C(COB1OCCCO1)COB1OCCCO1
Isomeric Smiles
O(CCCOB1OCCCO1)B1OCCCO1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.9731
LogD (pH = 7.4)
2.9731
Log P
2.9731
Molar Refractivity
50.9706
Polarizability
24.049042
Polar Surface Area
55.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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