Molecule

ID:94788

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrF₂O₂
Molecular Mass
265.0514864
Exact Mass
263.9597479
Charge
0
InChI
InChI=1S/C9H7BrF2O2/c10-5-1-2-6(11)7(8(5)12)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKey
CDTLXOMTRLLSEI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1C1OCCO1)F)Br
Isomeric Smiles
Fc1ccc(c(c1C1OCCO1)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0105567
LogD (pH = 7.4)
3.0105567
Log P
3.0105567
Molar Refractivity
49.4928
Polarizability
19.105566
Polar Surface Area
18.46
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