Molecule

ID:35768

General Information
Structure
MolImage
Molecular Formula
C₇H₅N₃O₄
Molecular Mass
195.1323
Exact Mass
195.02800566
Charge
0
InChI
InChI=1S/C7H5N3O4/c1-10-2-8-5-3(6(10)11)4(7(12)13)9-14-5/h2H,1H3,(H,12,13)
InChIKey
UCEPHUOIZFUAJA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1noc2c1c(=O)n(cn2)C
Isomeric Smiles
c12c(noc2ncn(c1=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.4690557
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.6225497
LogD (pH = 7.4)
-3.388146
Log P
-0.5543125
Molar Refractivity
45.3756
Polarizability
15.523014
Polar Surface Area
96.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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