Molecule

ID:97007

General Information
Structure
Molecular Formula
C₆H₁₁FO₅
Molecular Mass
182.1469432
Exact Mass
182.05905167
Charge
0
InChI
InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6?/m0/s1
InChIKey
BUMRBAMACDBPKO-QRXFDPRISA-N
Canonic Smiles
OC[C@@H]1OC(O)[C@H]([C@@H]([C@H]1O)F)O
Isomeric Smiles
O1[C@@H](CO)[C@@H]([C@@H](F)[C@@H](C1O)O)O
Calculated Properties
JChem
Acid pKa
11.255882
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.041448
LogD (pH = 7.4)
-2.041508
Log P
-2.0414474
Molar Refractivity
34.2313
Polarizability
14.34486
Polar Surface Area
90.15
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