Molecule

ID:115344

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClN₄O₃
Molecular Mass
264.6247
Exact Mass
264.00501772
Charge
0
InChI
InChI=1S/C10H5ClN4O3/c11-5-2-1-3-6(4-5)15-9(16)7-8(12-10(15)17)14-18-13-7/h1-4H,(H,12,14,17)
InChIKey
HCJHJRKMHKMWQI-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)n1c(=O)[nH]c2c(c1=O)non2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)non2)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
9.705517
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8017542
LogD (pH = 7.4)
1.7997432
Log P
1.8017799
Molar Refractivity
63.5673
Polarizability
22.501205
Polar Surface Area
88.33
Rotatable Bonds
1
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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