Molecule

ID:128859

General Information

Structure

Molecular Formula

C₈H₆

Molecular Mass

102.13324

Exact Mass

102.04695019

Charge

0

InChI

InChI=1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H

InChIKey

GUVXZFRDPCKWEM-UHFFFAOYSA-N

Canonic Smiles

C1=CC2=CC=CC2=C1

Isomeric Smiles

C1=CC2=CC=CC2=C1

Calculated Properties

JChem

LogD (pH = 7.4)

1.24

LogD (pH = 5.5)

1.24

Log P

1.24

Rotatable Bonds

0

H Donor

0

H Acceptors

0

Lipinski's Rule of Five

true

Polar Surface Area

0.00

Polarizability

11.51

Molar Refractivity

38.83

LOG S

-1.96

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