Molecule

ID:25884

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN₃O₄
Molecular Mass
255.61464
Exact Mass
255.00468337
Charge
0
InChI
InChI=1S/C9H6ClN3O4/c10-8-4-12(11-9(8)13(15)16)3-6-1-2-7(5-14)17-6/h1-2,4-5H,3H2
InChIKey
GMOIDBNEMSRTQN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)Cn1cc(c(n1)[N+](=O)[O-])Cl
Isomeric Smiles
c1(c(cn(n1)Cc1oc(cc1)C=O)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9568155
LogD (pH = 7.4)
1.9568155
Log P
1.9568155
Molar Refractivity
70.8694
Polarizability
21.371712
Polar Surface Area
93.85
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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