Molecule

ID:3039

General Information

Structure

MolImage

Molecular Formula

C₃H₈AsNO₅S

Molecular Mass

245.08592

Exact Mass

244.93391436

Charge

0

InChI

InChI=1S/C3H8AsNO5S/c5-2(3(6)7)1-11-4(8,9)10/h2H,1,5H2,(H,6,7)(H2,8,9,10)/t2-/m0/s1

InChIKey

XSWAJYRRDHPZDP-REOHCLBHSA-N

Canonic Smiles

OC(=O)[C@H](CS[As](=O)(O)O)N

Isomeric Smiles

N[C@@H](CS[As](=O)(O)O)C(=O)O

Calculated Properties

JChem

Acid pKa

1.0999268

H Acceptors

6

H Donor

4

LogD (pH = 5.5)

-5.9225845

LogD (pH = 7.4)

-6.782145

Log P

-4.1487083

Molar Refractivity

34.008

Polarizability

17.365194

Polar Surface Area

120.85

Rotatable Bonds

4

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-2.95

LOG S

-0.78

Solubility (Water)

4.04e+01 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity