Molecule

ID:34228

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀FN₅S₂
Molecular Mass
343.4018032
Exact Mass
343.03616557
Charge
0
InChI
InChI=1S/C15H10FN5S2/c16-8-3-5-9(6-4-8)21-13(19-20-15(21)22)12-11(17)10-2-1-7-18-14(10)23-12/h1-7H,17H2,(H,20,22)
InChIKey
AZDVPPXYIJMMMR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1c(S)nnc1c1sc2c(c1N)cccn2
Isomeric Smiles
c1cnc2c(c1)c(c(s2)c1n(c(nn1)S)c1ccc(cc1)F)N
Calculated Properties
JChem
Acid pKa
7.6742883
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.0961697
LogD (pH = 7.4)
1.9202459
Log P
2.099
Molar Refractivity
112.644
Polarizability
35.26963
Polar Surface Area
69.62
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