Molecule

ID:30764

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂S
Molecular Mass
208.2552632
Exact Mass
208.04704752
Charge
0
InChI
InChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKey
TZTVOZBUYKWEMJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Cc1cnc(s1)N
Isomeric Smiles
c1(ncc(s1)Cc1cc(F)ccc1)N
Calculated Properties
JChem
Acid pKa
17.429588
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6600978
LogD (pH = 7.4)
2.8510606
Log P
2.854298
Molar Refractivity
55.3318
Polarizability
20.283377
Polar Surface Area
38.91
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
References
Bioactivity
Navigation