Molecule

ID:97268

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄FN₃
Molecular Mass
267.3008632
Exact Mass
267.11717568
Charge
0
InChI
InChI=1S/C16H14FN3/c1-11-4-2-3-5-14(11)15-10-16(18)20(19-15)13-8-6-12(17)7-9-13/h2-10H,18H2,1H3
InChIKey
XHIQYDULEJYSNL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1nc(cc1N)c1ccccc1C
Isomeric Smiles
n1c(c2c(cccc2)C)cc(n1c1ccc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.007204
LogD (pH = 7.4)
4.0086102
Log P
4.0086284
Molar Refractivity
78.3952
Polarizability
30.928
Polar Surface Area
43.84
Rotatable Bonds
2
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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