Molecule

ID:57819

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3
InChIKey
OITZNDMCFHYWLX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1cncc1
Isomeric Smiles
c1n(ccn1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.46352246
LogD (pH = 7.4)
7.882919E-4
Log P
0.059137177
Molar Refractivity
39.5118
Polarizability
15.310647
Polar Surface Area
44.12
Rotatable Bonds
4
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