Molecule

ID:16608

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₄
Molecular Mass
240.25574
Exact Mass
240.111007
Charge
0
InChI
InChI=1S/C11H16N2O4/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,17)(H,14,15)
InChIKey
PYFPTMQCFCCZFE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC(=O)N(C1=O)C1CCCCC1
Isomeric Smiles
N1(C2CCCCC2)C(=O)C(NC1=O)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.248005
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.7731847
LogD (pH = 7.4)
-2.5001895
Log P
0.49967846
Molar Refractivity
57.4863
Polarizability
22.60945
Polar Surface Area
86.71
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