Molecule

ID:27018

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂N₂O₃
Molecular Mass
263.07742
Exact Mass
261.99119749
Charge
0
InChI
InChI=1S/C9H8Cl2N2O3/c1-5(10)9(14)12-8-4-6(13(15)16)2-3-7(8)11/h2-5H,1H3,(H,12,14)
InChIKey
GSRRUZUPEBWJRP-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(NC(=O)C(Cl)C)c(cc1)Cl
Isomeric Smiles
[N+](=O)(c1cc(NC(=O)C(Cl)C)c(cc1)Cl)[O-]
Calculated Properties
JChem
Acid pKa
11.795331
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8610928
LogD (pH = 7.4)
2.8610766
Log P
2.861093
Molar Refractivity
62.2976
Polarizability
22.83684
Polar Surface Area
74.92
Rotatable Bonds
3
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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