Molecule

ID:67479

General Information

Structure

MolImage

Molecular Formula

C₆H₇N₃O

Molecular Mass

137.13928

Exact Mass

137.05891186

Charge

0

InChI

InChI=1S/C6H7N3O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,7H2,(H2,8,10)

InChIKey

GQGQFLVAXGKVQL-UHFFFAOYSA-N

Canonic Smiles

Nc1cncc(c1)C(=O)N

Isomeric Smiles

c1c(cc(cn1)N)C(=O)N

Calculated Properties

JChem

Acid pKa

13.535439

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-1.2379365

LogD (pH = 7.4)

-1.2229078

Log P

-1.2227123

Molar Refractivity

37.6799

Polarizability

13.437919

Polar Surface Area

82.0

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