Molecule

ID:79172

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrO
Molecular Mass
201.06046
Exact Mass
199.98367691
Charge
0
InChI
InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChIKey
DZLZSFZSPIUINR-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1Br)O
Isomeric Smiles
Brc1c(cccc1)C(C)O
Calculated Properties
JChem
Acid pKa
14.626202
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3912237
LogD (pH = 7.4)
2.3912237
Log P
2.3912237
Molar Refractivity
44.9155
Polarizability
17.407875
Polar Surface Area
20.23
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