Molecule

ID:16315

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrN₂
Molecular Mass
173.0106
Exact Mass
171.96361017
Charge
0
InChI
InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
InChIKey
BKLJUYPLUWUEOQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(n1)Br
Isomeric Smiles
c1(cccc(n1)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4931176
LogD (pH = 7.4)
1.4953511
Log P
1.4953796
Molar Refractivity
37.38
Polarizability
13.5120945
Polar Surface Area
38.91
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