Molecule

ID:18935

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFN₃O₂
Molecular Mass
255.6328832
Exact Mass
255.02108238
Charge
0
InChI
InChI=1S/C10H7ClFN3O2/c11-7-2-1-3-8(12)6(7)4-15-5-9(10(16)17)13-14-15/h1-3,5H,4H2,(H,16,17)
InChIKey
VYWRVJMXJSWKDJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nnn(c1)Cc1c(F)cccc1Cl
Isomeric Smiles
c1(nnn(c1)Cc1c(Cl)cccc1F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0239425
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.09399278
LogD (pH = 7.4)
-0.93682206
Log P
2.534883
Molar Refractivity
69.8364
Polarizability
21.740276
Polar Surface Area
68.01
Rotatable Bonds
3
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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