Molecule

ID:88822

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br
Molecular Mass
181.0293
Exact Mass
179.95746216
Charge
0
InChI
InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChIKey
TZDXNFAAJNEYIO-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccc(c1)Br
Isomeric Smiles
Brc1cccc(c1)C#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8928337
LogD (pH = 7.4)
2.8928337
Log P
2.8928337
Molar Refractivity
38.8531
Polarizability
15.642248
Polar Surface Area
0.0
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
暂无数据
点击上传数据
References
Bioactivity
Navigation