Molecule

ID:30351

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-7-3-4-13-8(5-7)12-9(14)6-11(13,2)10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKey
USWIJJMJPPKQPY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(=NC(=O)CC2(C)C(=O)O)c1
Isomeric Smiles
c12=NC(=O)CC(n1ccc(c2)C)(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.9505827
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.4559493
LogD (pH = 7.4)
-3.0855224
Log P
0.101412974
Molar Refractivity
57.7285
Polarizability
21.55862
Polar Surface Area
69.97
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