Molecule

ID:124458

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₄
Molecular Mass
202.1877832
Exact Mass
202.06547446
Charge
0
InChI
InChI=1S/C10H7FN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
QMABEDHYXLYKEL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)c1cccc(c1)F
Isomeric Smiles
n1(c(c(cn1)C#N)N)c1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3180814
LogD (pH = 7.4)
1.3182256
Log P
1.3182275
Molar Refractivity
54.3114
Polarizability
20.049366
Polar Surface Area
67.63
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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