Molecule

ID:51791

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFN₃O₂
Molecular Mass
255.6328832
Exact Mass
255.02108238
Charge
0
InChI
InChI=1S/C10H7ClFN3O2/c11-5-8-13-9(10(16)17)14-15(8)7-3-1-6(12)2-4-7/h1-4H,5H2,(H,16,17)
InChIKey
AIRRVKYQMITZJP-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(nn1c1ccc(cc1)F)C(=O)O
Isomeric Smiles
c1(nn(c(n1)CCl)c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
2.7581193
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.15804783
LogD (pH = 7.4)
-1.0266138
Log P
2.5273747
Molar Refractivity
59.9212
Polarizability
22.372517
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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