Molecule

ID:118887

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FN₂OS₂
Molecular Mass
318.3890432
Exact Mass
318.0296832
Charge
0
InChI
InChI=1S/C15H11FN2OS2/c1-2-7-18-14(19)12-11(8-21-13(12)17-15(18)20)9-3-5-10(16)6-4-9/h2-6,8H,1,7H2,(H,17,20)
InChIKey
FDCXRUNDCJPKBD-UHFFFAOYSA-N
Canonic Smiles
C=CCn1c(S)nc2c(c1=O)c(cs2)c1ccc(cc1)F
Isomeric Smiles
c12c(nc(n(c1=O)CC=C)S)scc2c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
6.264936
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3883533
LogD (pH = 7.4)
3.5830905
Log P
4.451643
Molar Refractivity
86.3359
Polarizability
32.633545
Polar Surface Area
32.67
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