Molecule
ID:120921
General Information
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c14-9(15)2-1-5-13-10(16)7-3-4-12-6-8(7)11(13)17/h3-4,6H,1-2,5H2,(H,14,15)
InChIKey
NMADBICZDWMUPC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCN1C(=O)c2c(C1=O)cncc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccnc2)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.354979
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.4666584
LogD (pH = 7.4)
-3.7199976
Log P
-0.51389056
Molar Refractivity
57.5936
Polarizability
21.273134
Polar Surface Area
87.57
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...