Molecule

ID:121714

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃O₂
Molecular Mass
251.669
Exact Mass
251.04615426
Charge
0
InChI
InChI=1S/C11H10ClN3O2/c12-8-3-1-7(2-4-8)6-15-9(13)5-10(16)14-11(15)17/h1-5H,6,13H2,(H,14,16,17)
InChIKey
HGWQNUBKCNLWAI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cn1c(N)cc(=O)[nH]c1=O
Isomeric Smiles
n1(c(=O)[nH]c(=O)cc1N)Cc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
9.709985
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1940607
LogD (pH = 7.4)
1.1935854
Log P
1.1957035
Molar Refractivity
73.2194
Polarizability
24.052069
Polar Surface Area
75.43
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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