Molecule

ID:68256

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrFN₂O₂
Molecular Mass
287.0851232
Exact Mass
285.97531773
Charge
0
InChI
InChI=1S/C10H8BrFN2O2/c1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h3-5H,2H2,1H3
InChIKey
VBZNHZQNPCVRMD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)c(F)cc(c2)Br
Isomeric Smiles
c12c(cc(cn1cc(n2)C(=O)OCC)Br)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.216804
LogD (pH = 7.4)
2.217135
Log P
2.2171392
Molar Refractivity
60.1775
Polarizability
22.337852
Polar Surface Area
43.6
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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