Molecule

ID:14973

General Information
Structure
Molecular Formula
C₈H₆BrN
Molecular Mass
196.04394
Exact Mass
194.9683612
Charge
0
InChI
InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey
MAWGHOPSCKCTPA-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c1(ccc2c(c1)[nH]cc2)Br
Calculated Properties
JChem
Acid pKa
16.163662
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.8407605
LogD (pH = 7.4)
2.8407605
Log P
2.8407605
Molar Refractivity
44.7673
Polarizability
18.20636
Polar Surface Area
15.79
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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