Molecule

ID:66401

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₄
Molecular Mass
233.18028
Exact Mass
233.04365572
Charge
0
InChI
InChI=1S/C10H7N3O4/c14-10(15)9-5-8(11-12-9)6-2-1-3-7(4-6)13(16)17/h1-5H,(H,11,12)(H,14,15)
InChIKey
KOYVJIGBLQRTRF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1n[nH]c(c1)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
[nH]1nc(cc1c1cc(ccc1)[N+](=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
3.1667006
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.48148733
LogD (pH = 7.4)
-1.623204
Log P
1.8280737
Molar Refractivity
57.9638
Polarizability
22.335558
Polar Surface Area
109.12
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