Molecule

ID:126542

General Information

Structure

MolImage

Molecular Formula

C₄H₅Cl

Molecular Mass

88.5355

Exact Mass

88.00797784

Charge

0

InChI

InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2

InChIKey

YACLQRRMGMJLJV-UHFFFAOYSA-N

Canonic Smiles

C=CC(=C)Cl

Isomeric Smiles

ClC(=C)C=C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

1.8707877

LogD (pH = 7.4)

1.8707877

Log P

1.8707877

Molar Refractivity

25.0106

Polarizability

9.438375

Polar Surface Area

0.0

Rotatable Bonds

1

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