Molecule

ID:98186

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrFNO
Molecular Mass
191.9858232
Exact Mass
190.93820394
Charge
0
InChI
InChI=1S/C5H3BrFNO/c6-5-4(7)3(9)1-2-8-5/h1-2H,(H,8,9)
InChIKey
VCVUPJYFPKDKGZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc(c1F)Br
Isomeric Smiles
Brc1c(c(ccn1)O)F
Calculated Properties
JChem
Acid pKa
9.089772
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5688756
LogD (pH = 7.4)
1.5604101
Log P
1.5689846
Molar Refractivity
34.5634
Polarizability
12.967779
Polar Surface Area
33.12
Rotatable Bonds
0
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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