Molecule

ID:54936

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)6-5(8)3-4-9-6/h3-4,9H,2,8H2,1H3
InChIKey
SPNDLEQTZLQLTA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]ccc1N
Isomeric Smiles
[nH]1c(c(cc1)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
15.430999
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.15449
LogD (pH = 7.4)
1.15449
Log P
1.15449
Molar Refractivity
42.1686
Polarizability
15.471558
Polar Surface Area
68.11
Rotatable Bonds
3
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