Molecule

ID:124321

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FN₃O₃
Molecular Mass
251.2138032
Exact Mass
251.07061942
Charge
0
InChI
InChI=1S/C11H10FN3O3/c12-7-1-3-8(4-2-7)18-6-10-13-9(14-15-10)5-11(16)17/h1-4H,5-6H2,(H,16,17)(H,13,14,15)
InChIKey
BSNBZRLKIXQDJH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1[nH]nc(n1)COc1ccc(cc1)F
Isomeric Smiles
n1c([nH]nc1COc1ccc(F)cc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.1013865
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.551988
LogD (pH = 7.4)
-1.7311561
Log P
1.8276585
Molar Refractivity
60.5072
Polarizability
22.405172
Polar Surface Area
88.1
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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