Molecule

ID:74305

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃O₂
Molecular Mass
165.14938
Exact Mass
165.05382648
Charge
0
InChI
InChI=1S/C7H7N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,1-2H3
InChIKey
JKBOPKHTARFXNE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)C#N
Isomeric Smiles
n1c(cc(nc1C#N)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.4553028
LogD (pH = 7.4)
1.4553031
Log P
1.4553031
Molar Refractivity
41.6582
Polarizability
15.499022
Polar Surface Area
68.03
Rotatable Bonds
2
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
Navigation