Molecule

ID:65074

General Information

Structure

Molecular Formula

C₁₀H₈ClNO

Molecular Mass

193.62962

Exact Mass

193.02944156

Charge

0

InChI

InChI=1S/C10H8ClNO/c1-13-10-8-5-3-2-4-7(8)6-9(11)12-10/h2-6H,1H3

InChIKey

SNAJJTHVSPRNKF-UHFFFAOYSA-N

Canonic Smiles

COc1nc(Cl)cc2c1cccc2

Isomeric Smiles

c1ccc2c(c1)c(nc(c2)Cl)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.006058

LogD (pH = 7.4)

3.0060582

Log P

3.0060582

Molar Refractivity

52.9941

Polarizability

21.390497

Polar Surface Area

22.12

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