Molecule

ID:124360

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FN₄
Molecular Mass
254.2623432
Exact Mass
254.09677459
Charge
0
InChI
InChI=1S/C14H11FN4/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H,16H2,(H,17,18,19)
InChIKey
VEQOONPZUBVXKM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1n[nH]c(n1)c1ccc(cc1)F
Isomeric Smiles
n1c(n[nH]c1c1ccc(cc1)F)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
11.347365
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4093769
LogD (pH = 7.4)
3.4104476
Log P
3.4105093
Molar Refractivity
94.349
Polarizability
27.5754
Polar Surface Area
67.59
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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