Molecule

ID:41255

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₅O₂
Molecular Mass
229.19488
Exact Mass
229.05997449
Charge
0
InChI
InChI=1S/C10H7N5O2/c11-5-7-6-13-14(10(7)12)8-1-3-9(4-2-8)15(16)17/h1-4,6H,12H2
InChIKey
OAPYCPXMCXWPHI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1(c(c(cn1)C#N)N)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.1153632
LogD (pH = 7.4)
1.115508
Log P
1.1155097
Molar Refractivity
61.4197
Polarizability
22.279146
Polar Surface Area
113.45
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