Molecule

ID:17033

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₅
Molecular Mass
250.2075
Exact Mass
250.05897143
Charge
0
InChI
InChI=1S/C11H10N2O5/c1-6(11(15)16)12-5-7-2-3-8(13(17)18)4-9(7)10(12)14/h2-4,6H,5H2,1H3,(H,15,16)
InChIKey
NYTKWHBITYKXRB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1Cc2c(C1=O)cc(cc2)[N+](=O)[O-])C
Isomeric Smiles
c12c(CN(C1=O)C(C(=O)O)C)ccc(c2)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
2.6388497
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7681385
LogD (pH = 7.4)
-2.495525
Log P
1.0091972
Molar Refractivity
61.3876
Polarizability
22.361929
Polar Surface Area
103.43
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