Molecule

ID:121675

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃O₄
Molecular Mass
269.64122
Exact Mass
269.02033343
Charge
0
InChI
InChI=1S/C10H8ClN3O4/c1-17-5-9-12-10(13-18-9)6-2-3-7(11)8(4-6)14(15)16/h2-4H,5H2,1H3
InChIKey
SYZWNFJZTROYME-UHFFFAOYSA-N
Canonic Smiles
COCc1onc(n1)c1ccc(c(c1)[N+](=O)[O-])Cl
Isomeric Smiles
n1c(noc1COC)c1cc([N+](=O)[O-])c(cc1)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.6474905
LogD (pH = 7.4)
2.6474905
Log P
2.6474905
Molar Refractivity
75.1088
Polarizability
24.037462
Polar Surface Area
93.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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