Molecule

ID:13763

General Information
Structure
MolImage
Molecular Formula
C₆H₆BrN
Molecular Mass
172.02254
Exact Mass
170.9683612
Charge
0
InChI
InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKey
GSQZOLXWFQQJHJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccncc1Br
Isomeric Smiles
c1cncc(c1C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0118566
LogD (pH = 7.4)
2.0374093
Log P
2.0377474
Molar Refractivity
36.5651
Polarizability
14.019607
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation