Molecule

ID:90356

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₅
Molecular Mass
290.27136
Exact Mass
290.09027156
Charge
0
InChI
InChI=1S/C14H14N2O5/c1-14(2)20-12(18)10(13(19)21-14)7-16-9-5-3-8(4-6-9)11(15)17/h3-7,16H,1-2H3,(H2,15,17)
InChIKey
GJBYPCPNZVIJLT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cc1)NC=C1C(=O)OC(OC1=O)(C)C
Isomeric Smiles
NC(=O)c1ccc(cc1)NC=C1C(=O)OC(OC1=O)(C)C
Calculated Properties
JChem
Acid pKa
11.274429
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.98934567
LogD (pH = 7.4)
0.9892914
Log P
0.9893465
Molar Refractivity
74.6551
Polarizability
27.851543
Polar Surface Area
107.72
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