Molecule

ID:111576

General Information

Structure

MolImage

Molecular Formula

C₁₃H₁₃As

Molecular Mass

244.16392

Exact Mass

244.02332142

Charge

0

InChI

InChI=1S/C13H13As/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

InChIKey

CADPTFMOCGIPOI-UHFFFAOYSA-N

Canonic Smiles

C[As](c1ccccc1)c1ccccc1

Isomeric Smiles

C[As](c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.1974

LogD (pH = 7.4)

4.1974

Log P

4.1974

Molar Refractivity

56.4977

Polarizability

25.556467

Polar Surface Area

0.0

Rotatable Bonds

2

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