Molecule

ID:10258

General Information
Structure
Molecular Formula
C₆H₆F₂N₂
Molecular Mass
144.1220464
Exact Mass
144.04990464
Charge
0
InChI
InChI=1S/C6H6F2N2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,9-10H2
InChIKey
QGNXDMSEEPNKCF-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(N)c(c(c1)F)N
Isomeric Smiles
c1(cc(c(c(c1)N)N)F)F
Calculated Properties
JChem
Acid pKa
19.10126
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.60059774
LogD (pH = 7.4)
0.60079527
Log P
0.6007978
Molar Refractivity
35.8916
Polarizability
12.094815
Polar Surface Area
52.04
Rotatable Bonds
0
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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