Molecule

ID:93149

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₅O
Molecular Mass
210.100836
Exact Mass
210.01040582
Charge
0
InChI
InChI=1S/C8H3F5O/c9-6-1-4(3-14)5(2-7(6)10)8(11,12)13/h1-3H
InChIKey
JIWNIDFTOCBMFF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)c(cc1C(F)(F)F)F
Isomeric Smiles
O=Cc1c(cc(c(c1)F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8490005
LogD (pH = 7.4)
2.8490005
Log P
2.8490005
Molar Refractivity
39.0485
Polarizability
13.359789
Polar Surface Area
17.07
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