Molecule

ID:61003

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₃
Molecular Mass
155.1115
Exact Mass
155.03309104
Charge
0
InChI
InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChIKey
BLQMCTXZEMGOJM-UHFFFAOYSA-N
Canonic Smiles
Oc1ncc(c(n1)N)C(=O)O
Isomeric Smiles
n1c(c(C(=O)O)cnc1O)N
Calculated Properties
JChem
Acid pKa
4.4254603
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-0.6118897
LogD (pH = 7.4)
-2.3716023
Log P
0.49807063
Molar Refractivity
36.9193
Polarizability
12.846343
Polar Surface Area
109.33
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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