Molecule

ID:74152

General Information
Structure
Molecular Formula
C₁₃H₁₃N₃O₂
Molecular Mass
243.26122
Exact Mass
243.10077667
Charge
0
InChI
InChI=1S/C13H13N3O2/c1-17-16-10-5-3-2-4-8(10)12-11(16)7-6-9-13(12)15-18-14-9/h6-7H,2-5H2,1H3
InChIKey
XUEPYELDAHBGCR-UHFFFAOYSA-N
Canonic Smiles
COn1c2CCCCc2c2c1ccc1c2non1
Isomeric Smiles
n1c2c3c(ccc2no1)n(c1c3CCCC1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.344034
LogD (pH = 7.4)
2.344034
Log P
2.344034
Molar Refractivity
68.3926
Polarizability
27.188427
Polar Surface Area
53.08
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
Navigation