Molecule

ID:18787

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrN₂
Molecular Mass
158.98402
Exact Mass
157.94796011
Charge
0
InChI
InChI=1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H
InChIKey
PGFIHORVILKHIA-UHFFFAOYSA-N
Canonic Smiles
Brc1ncccn1
Isomeric Smiles
c1(Br)ncccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1083385
LogD (pH = 7.4)
1.1083386
Log P
1.1083386
Molar Refractivity
30.8198
Polarizability
11.610002
Polar Surface Area
25.78
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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