Molecule

ID:66363

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrClN₂
Molecular Mass
235.50882
Exact Mass
233.95593795
Charge
0
InChI
InChI=1S/C7H7BrN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey
XIZFRYIWRFNILW-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(=N)N.Cl
Isomeric Smiles
C(=N)(c1cc(ccc1)Br)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.7527623
LogD (pH = 7.4)
-0.7351271
Log P
1.6624669
Molar Refractivity
55.3533
Polarizability
16.821756
Polar Surface Area
49.87
Rotatable Bonds
1
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
暂无数据
点击上传数据
References
Bioactivity
Navigation