Molecule

ID:31350

General Information
Structure
Molecular Formula
C₆H₁₀BrN₃
Molecular Mass
204.0677
Exact Mass
203.00580934
Charge
0
InChI
InChI=1S/C6H10BrN3/c1-2-10-6(3-8)5(7)4-9-10/h4H,2-3,8H2,1H3
InChIKey
BTUXJKUWEKBRGC-UHFFFAOYSA-N
Canonic Smiles
NCc1c(Br)cnn1CC
Isomeric Smiles
c1(n(ncc1Br)CC)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1627166
LogD (pH = 7.4)
-0.59099865
Log P
0.57243603
Molar Refractivity
55.6837
Polarizability
16.978472
Polar Surface Area
43.84
Rotatable Bonds
2
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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