Molecule

ID:97233

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₅N₂
Molecular Mass
246.565076
Exact Mass
245.99831692
Charge
0
InChI
InChI=1S/C7H4ClF5N2/c8-5-3(15-14)1-2(9)4(6(5)10)7(11,12)13/h1,15H,14H2
InChIKey
QGFFAYVDQOAIKI-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(F)c(c(c1Cl)F)C(F)(F)F
Isomeric Smiles
Fc1c(c(cc(c1Cl)NN)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.7536545
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0648594
LogD (pH = 7.4)
3.1310859
Log P
3.1321855
Molar Refractivity
46.976
Polarizability
16.00656
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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