Molecule

ID:116862

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₃
Molecular Mass
234.25116
Exact Mass
234.10044232
Charge
0
InChI
InChI=1S/C12H14N2O3/c1-14-7-10(15)13-11(12(14)16)8-5-3-4-6-9(8)17-2/h3-6,11H,7H2,1-2H3,(H,13,15)
InChIKey
ABTWHJUWVLTFGB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1NC(=O)CN(C1=O)C
Isomeric Smiles
C1(C(=O)N(CC(=O)N1)C)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
10.625278
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20813516
LogD (pH = 7.4)
-0.20836124
Log P
-0.20813227
Molar Refractivity
61.3248
Polarizability
23.76957
Polar Surface Area
58.64
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