Molecule

ID:93592

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₇IO₂
Molecular Mass
370.0039324
Exact Mass
369.93007497
Charge
0
InChI
InChI=1S/C6H6F7IO2/c7-4(5(8,9)10,1-3(14)2-15)16-6(11,12)13/h3,15H,1-2H2
InChIKey
KPABQJYHRYTITM-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(C(F)(F)F)(OC(F)(F)F)F)I
Isomeric Smiles
O(C(C(F)(F)F)(F)CC(CO)I)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.608108
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0373416
LogD (pH = 7.4)
4.0373416
Log P
4.0373416
Molar Refractivity
42.9423
Polarizability
18.500715
Polar Surface Area
29.46
Rotatable Bonds
6
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