Molecule

ID:108551

General Information

Structure

MolImage

Molecular Formula

CaO₃S

Molecular Mass

120.1412

Exact Mass

119.91940584

Charge

0

InChI

InChI=1S/Ca.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2

InChIKey

GBAOBIBJACZTNA-UHFFFAOYSA-L

Canonic Smiles

[O-]S(=O)[O-].[Ca+2]

Isomeric Smiles

[Ca+2].[O-]S(=O)[O-]

Calculated Properties

JChem

Acid pKa

-3.669346

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

-3.4606745

LogD (pH = 7.4)

-3.4734561

Log P

-1.1546873

Molar Refractivity

10.0845

Polarizability

5.3231616

Polar Surface Area

63.19

Rotatable Bonds

0

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