Molecule

ID:115324

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄FN₃O₂
Molecular Mass
299.2996632
Exact Mass
299.10700492
Charge
0
InChI
InChI=1S/C16H14FN3O2/c1-9-8-13(16(21)22-3)14-10(2)19-20(15(14)18-9)12-6-4-11(17)5-7-12/h4-8H,1-3H3
InChIKey
AQTUFWSVUJSSAY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C)nc2c1c(C)nn2c1ccc(cc1)F
Isomeric Smiles
c12n(nc(c1c(C(=O)OC)cc(n2)C)C)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6366093
LogD (pH = 7.4)
2.6366506
Log P
2.636651
Molar Refractivity
79.9678
Polarizability
30.966677
Polar Surface Area
57.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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