Molecule

ID:41855

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅N₃O₂
Molecular Mass
199.1656
Exact Mass
199.03817642
Charge
0
InChI
InChI=1S/C10H5N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-5H
InChIKey
BDTIGNGBIBFXSE-UHFFFAOYSA-N
Canonic Smiles
N#CC(=Cc1ccc(cc1)[N+](=O)[O-])C#N
Isomeric Smiles
c1c(ccc(c1)C=C(C#N)C#N)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1125445
LogD (pH = 7.4)
2.1125445
Log P
2.1125445
Molar Refractivity
54.4175
Polarizability
19.107714
Polar Surface Area
93.4
Rotatable Bonds
2
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