Molecule

ID:124519

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClN₃O₂
Molecular Mass
287.7011
Exact Mass
287.04615426
Charge
0
InChI
InChI=1S/C14H10ClN3O2/c15-10-3-5-11(6-4-10)18-13(17-7-1-2-8-17)12(9-16-18)14(19)20/h1-9H,(H,19,20)
InChIKey
HWWYVSVKEVBRET-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1ncc(c1n1cccc1)C(=O)O
Isomeric Smiles
c1(c(cnn1c1ccc(cc1)Cl)C(=O)O)n1cccc1
Calculated Properties
JChem
Acid pKa
3.4371064
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3910823
LogD (pH = 7.4)
-1.0203063
Log P
2.2985191
Molar Refractivity
85.4864
Polarizability
28.91668
Polar Surface Area
60.05
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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