Molecule

ID:41212

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃N₂OS
Molecular Mass
234.1983096
Exact Mass
234.00746845
Charge
0
InChI
InChI=1S/C8H5F3N2OS/c1-13-7-5(2-4(3-14)15-7)6(12-13)8(9,10)11/h2-3H,1H3
InChIKey
OMJFTIUVMHLLMN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(s1)n(nc2C(F)(F)F)C
Isomeric Smiles
n1(nc(c2c1sc(c2)C=O)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6643698
LogD (pH = 7.4)
2.6643698
Log P
2.6643698
Molar Refractivity
59.2892
Polarizability
17.72859
Polar Surface Area
34.89
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