Molecule

ID:67925

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrN₄
Molecular Mass
199.00812
Exact Mass
197.95410812
Charge
0
InChI
InChI=1S/C5H3BrN4/c6-4-2-10-5(1-7-4)8-3-9-10/h1-3H
InChIKey
NSBUNHOQZFWJHM-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc2n(c1)ncn2
Isomeric Smiles
c12cnc(cn1ncn2)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9214084
LogD (pH = 7.4)
0.9214093
Log P
0.9214093
Molar Refractivity
51.0598
Polarizability
14.613361
Polar Surface Area
43.08
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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