Molecule

ID:43104

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃O₂
Molecular Mass
177.16008
Exact Mass
177.05382648
Charge
0
InChI
InChI=1S/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
InChIKey
TUWHJYXETJCCPJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc2c(cc1)cnn2C
Isomeric Smiles
c1c(cc2c(c1)cnn2C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3599625
LogD (pH = 7.4)
1.3599678
Log P
1.359968
Molar Refractivity
57.6096
Polarizability
18.268103
Polar Surface Area
60.96
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
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References
Bioactivity
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