Molecule

ID:55915

General Information

Structure

MolImage

Molecular Formula

C₁₀H₇N₃

Molecular Mass

169.18268

Exact Mass

169.06399724

Charge

0

InChI

InChI=1S/C10H7N3/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,(H2,12,13)

InChIKey

RANOMAHFIQOQIG-UHFFFAOYSA-N

Canonic Smiles

N#Cc1cc2ccccc2nc1N

Isomeric Smiles

c1(c(nc2c(c1)cccc2)N)C#N

Calculated Properties

JChem

Acid pKa

19.830692

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

1.7520796

LogD (pH = 7.4)

1.7525226

Log P

1.7525282

Molar Refractivity

50.7148

Polarizability

19.947447

Polar Surface Area

62.7

Rotatable Bonds

0

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