Molecule

ID:110641

General Information
Structure
MolImage
Molecular Formula
B₂CaH₂O₄
Molecular Mass
127.71348
Exact Mass
127.97651032
Charge
0
InChI
InChI=1S/2BO2.Ca/c2*2-1-3;/q2*-1;+2
InChIKey
ILOKQJWLMPPMQU-UHFFFAOYSA-N
Canonic Smiles
[O-][BH]=O.[O-][BH]=O.[Ca+2]
Isomeric Smiles
[Ca+2].[O-][BH]=O.[O-][BH]=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.19313604
LogD (pH = 7.4)
-0.44406706
Log P
0.2124
Molar Refractivity
2.8858
Polarizability
2.9952743
Polar Surface Area
40.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Acid pKa
6.840891
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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