Molecule

ID:95074

General Information
Structure
Molecular Formula
C₈H₃F₃IN
Molecular Mass
297.0157996
Exact Mass
296.92623176
Charge
0
InChI
InChI=1S/C8H3F3IN/c9-8(10,11)6-2-1-3-7(12)5(6)4-13/h1-3H
InChIKey
XTDHXRXSGUNTOB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(I)cccc1C(F)(F)F
Isomeric Smiles
FC(c1c(c(ccc1)I)C#N)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6361349
LogD (pH = 7.4)
3.6361349
Log P
3.6361349
Molar Refractivity
51.1158
Polarizability
18.91809
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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