Molecule

ID:28551

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃O₂
Molecular Mass
175.57304
Exact Mass
175.01485413
Charge
0
InChI
InChI=1S/C5H6ClN3O2/c1-4-2-5(9(10)11)7-8(4)3-6/h2H,3H2,1H3
InChIKey
LOAOXSQDDRXOMA-UHFFFAOYSA-N
Canonic Smiles
ClCn1nc(cc1C)[N+](=O)[O-]
Isomeric Smiles
c1(nn(c(c1)C)CCl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7488658
LogD (pH = 7.4)
1.7488658
Log P
1.7488658
Molar Refractivity
52.3887
Polarizability
14.668286
Polar Surface Area
63.64
Rotatable Bonds
2
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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