Molecule

ID:82272

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃O₃
Molecular Mass
253.64182
Exact Mass
253.02541881
Charge
0
InChI
InChI=1S/C10H8ClN3O3/c11-6-10-12-9(13-17-10)5-7-1-3-8(4-2-7)14(15)16/h1-4H,5-6H2
InChIKey
COZDQAXAPNFXHD-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)Cc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1c(onc1Cc1ccc(cc1)[N+](=O)[O-])CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8528304
LogD (pH = 7.4)
2.8528304
Log P
2.8528304
Molar Refractivity
62.539
Polarizability
22.492735
Polar Surface Area
84.74
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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