Molecule

ID:88244

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrN₃O
Molecular Mass
199.99288
Exact Mass
198.9381237
Charge
0
InChI
InChI=1S/C5H2BrN3O/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H
InChIKey
QXKXHPFMLXFTDP-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2nonc2nc1
Isomeric Smiles
Brc1cc2nonc2nc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1993532
LogD (pH = 7.4)
1.1993532
Log P
1.1993532
Molar Refractivity
39.1735
Polarizability
14.48397
Polar Surface Area
51.81
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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