Molecule
ID:123744
General Information
Molecular Formula
C₁₃H₁₄N₂O₄
Molecular Mass
262.26126
Exact Mass
262.09535694
Charge
0
InChI
InChI=1S/C13H14N2O4/c16-11(17)9-15-7-6-14(12(18)13(15)19)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)
InChIKey
TXTMIOAHVBYUKN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCN(C(=O)C1=O)Cc1ccccc1
Isomeric Smiles
C1(=O)C(=O)N(Cc2ccccc2)CCN1CC(=O)O
Calculated Properties
JChem
Acid pKa
3.6299837
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8184259
LogD (pH = 7.4)
-3.2843409
Log P
0.04799895
Molar Refractivity
66.398
Polarizability
25.497715
Polar Surface Area
77.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...