Molecule

ID:9068

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂N₂
Molecular Mass
154.1168664
Exact Mass
154.03425458
Charge
0
InChI
InChI=1S/C7H4F2N2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H,(H,10,11)
InChIKey
JNEWVMQNHBQHHL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1F)nc[nH]2
Isomeric Smiles
c1(ccc2c(c1F)nc[nH]2)F
Calculated Properties
JChem
Acid pKa
12.290976
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4890313
LogD (pH = 7.4)
1.5441396
Log P
1.5449079
Molar Refractivity
35.4013
Polarizability
14.015231
Polar Surface Area
28.68
Rotatable Bonds
0
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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