Molecule

ID:43323

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClN₃O₃
Molecular Mass
265.65252
Exact Mass
265.02541881
Charge
0
InChI
InChI=1S/C11H8ClN3O3/c1-18-9-6-13-11(14-10(9)12)7-3-2-4-8(5-7)15(16)17/h2-6H,1H3
InChIKey
RUUDCLFRBDFWOF-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1Cl)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
n1c(ncc(c1Cl)OC)c1cc([N+](=O)[O-])ccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0154374
LogD (pH = 7.4)
3.0154588
Log P
3.015459
Molar Refractivity
77.7874
Polarizability
25.220615
Polar Surface Area
80.83
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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