Molecule

ID:64476

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃O₂
Molecular Mass
115.0907
Exact Mass
115.03817642
Charge
0
InChI
InChI=1S/C3H5N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3
InChIKey
RXYCUKSOYJWGPE-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=NCC(=O)OC
Isomeric Smiles
[N+](=[N-])=NCC(=O)OC
Calculated Properties
JChem
Acid pKa
4.645349
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.18840092
LogD (pH = 7.4)
-0.18840092
Log P
-0.074355274
Molar Refractivity
25.4075
Polarizability
9.472426
Polar Surface Area
55.73
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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