Molecule

ID:98381

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrF₃NO
Molecular Mass
294.0678896
Exact Mass
292.96631051
Charge
0
InChI
InChI=1S/C10H7BrF3NO/c11-7-1-3-8(4-2-7)15-6-5-9(16)10(12,13)14/h1-6,15H
InChIKey
VBODWDWEPNVSJO-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)/C=C/Nc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)N/C=C/C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.433905
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6075432
LogD (pH = 7.4)
3.6075435
Log P
3.6075435
Molar Refractivity
59.4437
Polarizability
21.106407
Polar Surface Area
29.1
Rotatable Bonds
4
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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