Molecule

ID:39343

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₄
Molecular Mass
280.3196
Exact Mass
280.14230713
Charge
0
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(8-12(17)18)7-10-5-4-6-15-9-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
JSWWEGRTQTXLFX-NSHDSACASA-N
Canonic Smiles
OC(=O)C[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C
Isomeric Smiles
n1cccc(c1)C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.109945
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.13337104
LogD (pH = 7.4)
-1.5212296
Log P
0.44688246
Molar Refractivity
72.4567
Polarizability
28.464973
Polar Surface Area
88.52
Rotatable Bonds
7
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