Molecule

ID:69386

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-5-3-4-7(9(10)11)6(2)8-5/h3-4H,1-2H3
InChIKey
AETHUDGJSSKZKT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1C)C
Isomeric Smiles
c1(c(ccc(n1)C)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.95811963
LogD (pH = 7.4)
0.95829564
Log P
0.9582979
Molar Refractivity
39.4046
Polarizability
14.861815
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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