Molecule

ID:36982

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₂N₃O₄
Molecular Mass
292.07558
Exact Mass
290.98136108
Charge
0
InChI
InChI=1S/C9H7Cl2N3O4/c10-7(11)9(16)13-12-8(15)5-1-3-6(4-2-5)14(17)18/h1-4,7H,(H,12,15)(H,13,16)
InChIKey
XIERRIXACLURBV-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)NNC(=O)c1ccc(cc1)[N+](=O)[O-])Cl
Isomeric Smiles
c1c(ccc(c1)C(=O)NNC(=O)C(Cl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
4.610896
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7890599
LogD (pH = 7.4)
0.5184449
Log P
1.4559493
Molar Refractivity
65.3028
Polarizability
23.955719
Polar Surface Area
104.02
Rotatable Bonds
4
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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