Molecule

ID:130865

General Information
Structure
MolImage
Molecular Formula
CaH₄O₆S
Molecular Mass
172.17116
Exact Mass
171.93544983
Charge
0
InChI
InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKey
PASHVRUKOFIRIK-UHFFFAOYSA-L
Canonic Smiles
[O-]S(=O)(=O)[O-].[Ca+2].O.O
Isomeric Smiles
O.O.[O-]S(=O)(=O)[O-].[Ca+2]
Calculated Properties
JChem
LogD (pH = 7.4)
-5.59
LogD (pH = 5.5)
-5.57
Log P
-0.84
Rotatable Bonds
0
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-3.03
Polar Surface Area
80.26
Polarizability
5.81
Molar Refractivity
11.53
LOG S
1.12
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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