Molecule

ID:35783

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₂N₂O₂
Molecular Mass
288.2489064
Exact Mass
288.07103401
Charge
0
InChI
InChI=1S/C15H10F2N2O2/c1-8-18-13-6-9(15(20)21)2-5-14(13)19(8)10-3-4-11(16)12(17)7-10/h2-7H,1H3,(H,20,21)
InChIKey
VNBVKYDZZMGCME-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nc(n2c1ccc(c(c1)F)F)C
Isomeric Smiles
n1(c(nc2c1ccc(C(=O)O)c2)C)c1cc(c(cc1)F)F
Calculated Properties
JChem
Acid pKa
2.3274515
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9235956
LogD (pH = 7.4)
-0.18624477
Log P
1.0181005
Molar Refractivity
82.0918
Polarizability
28.343487
Polar Surface Area
55.12
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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