Molecule

ID:16355

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrNO
Molecular Mass
173.99536
Exact Mass
172.94762575
Charge
0
InChI
InChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
InChIKey
PTEFNEALEPSHLC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cn1)O
Isomeric Smiles
c1(cnc(cc1)Br)O
Calculated Properties
JChem
Acid pKa
8.23305
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4254467
LogD (pH = 7.4)
1.3679678
Log P
1.4262828
Molar Refractivity
34.347
Polarizability
13.043967
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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