Molecule

ID:113070

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FN₂O₂
Molecular Mass
270.2584432
Exact Mass
270.08045582
Charge
0
InChI
InChI=1S/C15H11FN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)
InChIKey
VRKPPEZAPRSYRE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1nc(c2c1cccc2)C(=O)O
Isomeric Smiles
c1(nn(c2c1cccc2)Cc1ccc(F)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.116709
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9753515
LogD (pH = 7.4)
-0.12841013
Log P
3.3305922
Molar Refractivity
83.0023
Polarizability
27.989706
Polar Surface Area
55.12
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
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Molecule Details
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References
Bioactivity
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