Molecule

ID:65432

General Information
Structure
MolImage
Molecular Formula
C₆H₈BrN₃OS
Molecular Mass
250.11622
Exact Mass
248.95714489
Charge
0
InChI
InChI=1S/C6H8BrN3OS/c7-5-8-9-6(12-5)10-1-3-11-4-2-10/h1-4H2
InChIKey
KNPRIAYJCRBMHL-UHFFFAOYSA-N
Canonic Smiles
Brc1nnc(s1)N1CCOCC1
Isomeric Smiles
c1(sc(nn1)Br)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3861521
LogD (pH = 7.4)
1.3861524
Log P
1.3861524
Molar Refractivity
51.9904
Polarizability
18.954649
Polar Surface Area
38.25
Rotatable Bonds
1
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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