Molecule

ID:79122

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClN₃O₃
Molecular Mass
251.62594
Exact Mass
251.00976875
Charge
0
InChI
InChI=1S/C10H6ClN3O3/c11-7-4-8(6-12-5-7)17-10-9(14(15)16)2-1-3-13-10/h1-6H
InChIKey
LXOSOXNFZKOICS-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(c1)Oc1ncccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cccnc1Oc1cc(cnc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1761162
LogD (pH = 7.4)
2.1766675
Log P
2.1766746
Molar Refractivity
60.428
Polarizability
22.74583
Polar Surface Area
80.83
Rotatable Bonds
3
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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