Molecule

ID:56825

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClN₃O₃
Molecular Mass
189.55656
Exact Mass
188.99411868
Charge
0
InChI
InChI=1S/C5H4ClN3O3/c1-8-2-3(9(11)12)4(7-8)5(6)10/h2H,1H3
InChIKey
SXMNSQYPAHXNPE-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c(c1)[N+](=O)[O-])C(=O)Cl
Isomeric Smiles
c1(c(nn(c1)C)C(=O)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.91785294
LogD (pH = 7.4)
0.91785294
Log P
0.91785294
Molar Refractivity
53.0288
Polarizability
14.880023
Polar Surface Area
80.71
Rotatable Bonds
2
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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