Molecule

ID:90263

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrNO₃
Molecular Mass
268.06354
Exact Mass
266.95310506
Charge
0
InChI
InChI=1S/C10H6BrNO3/c11-7-3-1-2-6(4-7)9-8(10(13)14)5-12-15-9/h1-5H,(H,13,14)
InChIKey
POEXJBZCKRYPAH-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)c1oncc1C(=O)O
Isomeric Smiles
o1ncc(c1c1cccc(c1)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1307683
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.946916
LogD (pH = 7.4)
-0.7480088
Log P
2.3313532
Molar Refractivity
57.3927
Polarizability
22.478624
Polar Surface Area
63.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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