Molecule

ID:99537

General Information
Structure
MolImage
Molecular Formula
C₅H₇F₅O
Molecular Mass
178.100496
Exact Mass
178.04170594
Charge
0
InChI
InChI=1S/C5H7F5O/c1-3(2,11)4(6,7)5(8,9)10/h11H,1-2H3
InChIKey
VZNSVWKHKHDGCM-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(F)(F)F)(F)F)(O)C
Isomeric Smiles
OC(C)(C)C(C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.458541
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8343135
LogD (pH = 7.4)
1.8343098
Log P
1.8343136
Molar Refractivity
27.4364
Polarizability
10.225935
Polar Surface Area
20.23
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