Molecule

ID:58824

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O₂
Molecular Mass
206.2013
Exact Mass
206.08037558
Charge
0
InChI
InChI=1S/C9H10N4O2/c14-10-6-9(7-11-15)13-12-8-4-2-1-3-5-8/h1-7,12,14-15H/b10-6+,11-7+
InChIKey
GLLXEPRJNSLUNP-JMQWPVDRSA-N
Canonic Smiles
O/N=C/C(=N/Nc1ccccc1)/C=N/O
Isomeric Smiles
C(=N\Nc1ccccc1)(\C=N\O)/C=N/O
Calculated Properties
JChem
Acid pKa
7.680486
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
2.4161975
LogD (pH = 7.4)
2.2371852
Log P
2.4194453
Molar Refractivity
57.2885
Polarizability
20.583872
Polar Surface Area
89.57
Rotatable Bonds
4
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