Molecule

ID:39695

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-9-10(12-7-2-3-8-12)5-4-6-11(9)13(14)15/h2-8H,1H3
InChIKey
ZXAGPRVGBUFYEM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1C)n1cccc1
Isomeric Smiles
c1ccc(c(c1[N+](=O)[O-])C)n1cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9826
LogD (pH = 7.4)
2.9826
Log P
2.9826
Molar Refractivity
68.1763
Polarizability
21.92876
Polar Surface Area
50.75
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