Molecule

ID:65428

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀BrN₃S
Molecular Mass
236.1327
Exact Mass
234.97788034
Charge
0
InChI
InChI=1S/C6H10BrN3S/c1-3-10(4-2)6-9-8-5(7)11-6/h3-4H2,1-2H3
InChIKey
FGYQDBJISVECEF-UHFFFAOYSA-N
Canonic Smiles
CCN(c1nnc(s1)Br)CC
Isomeric Smiles
c1(sc(nn1)Br)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3182685
LogD (pH = 7.4)
2.3182688
Log P
2.3182688
Molar Refractivity
52.4131
Polarizability
18.845303
Polar Surface Area
29.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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