Molecule

ID:86621

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂BrN₃
Molecular Mass
194.07288
Exact Mass
193.0214594
Charge
0
InChI
InChI=1S/C5H11N3.BrH/c6-5(7)8-3-1-2-4-8;/h1-4H2,(H3,6,7);1H
InChIKey
NGHBTEAGXBELKR-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCCC1.Br
Isomeric Smiles
N1(C(=N)N)CCCC1.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.70691
LogD (pH = 7.4)
-2.7064862
Log P
-0.29145607
Molar Refractivity
43.4691
Polarizability
12.215329
Polar Surface Area
53.11
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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