Molecule

ID:68865

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
InChIKey
HFCFJYRLBAANKN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1C)N
Isomeric Smiles
Nc1c(c(ccc1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5976106
LogD (pH = 7.4)
1.597724
Log P
1.5977254
Molar Refractivity
42.1201
Polarizability
15.119513
Polar Surface Area
69.16
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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