Molecule

ID:124455

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFN₃O₂
Molecular Mass
255.6328832
Exact Mass
255.02108238
Charge
0
InChI
InChI=1S/C10H7ClFN3O2/c11-7-2-1-5(12)3-8(7)15-9(13)6(4-14-15)10(16)17/h1-4H,13H2,(H,16,17)
InChIKey
BAVCTQYCESDIDT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)n1ncc(c1N)C(=O)O)Cl
Isomeric Smiles
n1(c(c(cn1)C(=O)O)N)c1cc(ccc1Cl)F
Calculated Properties
JChem
Acid pKa
4.105587
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9484834
LogD (pH = 7.4)
-0.73231894
Log P
2.3737588
Molar Refractivity
60.6508
Polarizability
22.582348
Polar Surface Area
81.14
Rotatable Bonds
2
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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