Molecule

ID:24035

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃O₂
Molecular Mass
239.6583
Exact Mass
239.04615426
Charge
0
InChI
InChI=1S/C10H9N3O2.ClH/c11-8-5-7(10(14)15)1-2-9(8)13-4-3-12-6-13;/h1-6H,11H2,(H,14,15);1H
InChIKey
JUUUHTCSUDLYKL-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1n1cncc1)C(=O)O.Cl
Isomeric Smiles
n1(c2c(cc(C(=O)O)cc2)N)cncc1.Cl
Calculated Properties
JChem
Acid pKa
5.328962
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.91412556
LogD (pH = 7.4)
-1.8692372
Log P
-0.9966893
Molar Refractivity
65.963
Polarizability
20.88726
Polar Surface Area
81.14
Rotatable Bonds
2
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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