Molecule

ID:58242

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
InChIKey
KFBOUJZFFJDYTA-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1[N+](=O)[O-]
Isomeric Smiles
c1ccc(c(c1)[N+](=O)[O-])NC
Calculated Properties
JChem
Acid pKa
14.268632
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0360072
LogD (pH = 7.4)
2.0360081
Log P
2.0360081
Molar Refractivity
42.5723
Polarizability
15.192807
Polar Surface Area
55.17
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
References
Bioactivity
Navigation