Molecule

ID:74887

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrO₃P
Molecular Mass
251.014381
Exact Mass
249.93944275
Charge
0
InChI
InChI=1S/C7H8BrO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKey
AJSDTRXBGITXHM-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)CP(=O)(O)O
Isomeric Smiles
P(=O)(O)(Cc1ccc(cc1)Br)O
Calculated Properties
JChem
Acid pKa
1.7334373
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.97505426
LogD (pH = 7.4)
-1.0485985
Log P
1.3168709
Molar Refractivity
49.5372
Polarizability
19.39467
Polar Surface Area
57.53
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