Molecule

ID:51385

General Information

Structure

Molecular Formula

C₆H₅F₂NO

Molecular Mass

145.1068064

Exact Mass

145.03392023

Charge

0

InChI

InChI=1S/C6H5F2NO/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,1H3

InChIKey

RMXCBWORXFRDFM-UHFFFAOYSA-N

Canonic Smiles

COc1c(F)cncc1F

Isomeric Smiles

c1c(c(c(cn1)F)OC)F

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.88319355

LogD (pH = 7.4)

0.8833046

Log P

0.88330597

Molar Refractivity

30.7971

Polarizability

11.511098

Polar Surface Area

22.12

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity