Molecule

ID:32837

General Information
Structure
MolImage
Molecular Formula
C₇H₆BNO₆
Molecular Mass
210.93664
Exact Mass
211.02881732
Charge
0
InChI
InChI=1S/C7H6BNO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,12-13H,(H,10,11)
InChIKey
APBXPKJLXBBPQJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1B(O)O)C(=O)O
Isomeric Smiles
c1(c(cc(cc1)C(=O)O)[N+](=O)[O-])B(O)O
Calculated Properties
JChem
Acid pKa
3.0604064
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.3093266
LogD (pH = 7.4)
-2.6029232
Log P
1.1093
Molar Refractivity
44.1802
Polarizability
17.951475
Polar Surface Area
120.9
Rotatable Bonds
3
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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