Molecule

ID:7643

General Information
Structure
Molecular Formula
C₁₄H₁₀FNOS
Molecular Mass
259.2987032
Exact Mass
259.04671317
Charge
0
InChI
InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKey
KIJMTRJIUKHLPE-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)Oc1cccc(c1C#N)F
Isomeric Smiles
c1ccc(c(c1F)C#N)Oc1ccc(cc1)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1005483
LogD (pH = 7.4)
4.1005483
Log P
4.1005483
Molar Refractivity
70.9957
Polarizability
27.022333
Polar Surface Area
33.02
Rotatable Bonds
3
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