Molecule

ID:35119

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉FN₂O₂S
Molecular Mass
264.2754632
Exact Mass
264.03687676
Charge
0
InChI
InChI=1S/C12H9FN2O2S/c13-8-1-3-11(4-2-8)18-12-6-9(14)5-10(7-12)15(16)17/h1-7H,14H2
InChIKey
BEJBRMJZDNGXEO-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Sc2ccc(cc2)F)cc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(Sc2ccc(F)cc2)cc(c1)N)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4157064
LogD (pH = 7.4)
3.4157548
Log P
3.4157555
Molar Refractivity
70.9836
Polarizability
25.655907
Polar Surface Area
71.84
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