Molecule

ID:69862

General Information
Structure
Molecular Formula
C₇H₄BrN
Molecular Mass
182.01736
Exact Mass
180.95271113
Charge
0
InChI
InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey
STXAVEHFKAXGOX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)Br
Isomeric Smiles
C(#N)c1cc(ccc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5980947
LogD (pH = 7.4)
2.5980947
Log P
2.5980947
Molar Refractivity
39.4024
Polarizability
14.958504
Polar Surface Area
23.79
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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