Molecule

ID:34272

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆Br₂N₄S
Molecular Mass
348.10174
Exact Mass
345.94624153
Charge
0
InChI
InChI=1S/C7H14N4S.2BrH/c1-3-11-6(2)9-10-7(11)12-5-4-8;;/h3-5,8H2,1-2H3;2*1H
InChIKey
UJRNSMSALHFSJI-UHFFFAOYSA-N
Canonic Smiles
NCCSc1nnc(n1CC)C.Br.Br
Isomeric Smiles
n1(c(nnc1C)SCCN)CC.Br.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1276593
LogD (pH = 7.4)
-2.1359067
Log P
-0.14632921
Molar Refractivity
53.7002
Polarizability
19.91357
Polar Surface Area
56.73
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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