Molecule

ID:66073

General Information

Structure

Molecular Formula

C₈H₇ClF₂

Molecular Mass

176.5909864

Exact Mass

176.02043434

Charge

0

InChI

InChI=1S/C8H7ClF2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3

InChIKey

WCZWZMVKUURTLP-UHFFFAOYSA-N

Canonic Smiles

Clc1ccccc1C(F)(F)C

Isomeric Smiles

c1(c(cccc1)C(F)(C)F)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.2144413

LogD (pH = 7.4)

3.2144413

Log P

3.2144413

Molar Refractivity

40.9686

Polarizability

15.386304

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity