Molecule

ID:92532

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrO
Molecular Mass
199.04458
Exact Mass
197.96802684
Charge
0
InChI
InChI=1S/C8H7BrO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2
InChIKey
XYPVBKDHERGKJG-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)C=O
Isomeric Smiles
O=Cc1ccc(cc1)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4584856
LogD (pH = 7.4)
2.4584856
Log P
2.4584856
Molar Refractivity
45.4924
Polarizability
16.768908
Polar Surface Area
17.07
Rotatable Bonds
2
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