Molecule

ID:14786

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrN₂
Molecular Mass
175.02648
Exact Mass
173.97926023
Charge
0
InChI
InChI=1S/C5H7BrN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKey
PFSTUXCXMBDZRM-UHFFFAOYSA-N
Canonic Smiles
BrCCn1cccn1
Isomeric Smiles
n1(CCBr)cccn1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2509571
LogD (pH = 7.4)
1.2510893
Log P
1.251091
Molar Refractivity
47.2882
Polarizability
13.565468
Polar Surface Area
17.82
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
Molecule Details
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References
Bioactivity
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