Molecule

ID:116242

General Information
Structure
Molecular Formula
C₁₁H₁₂FN₃S
Molecular Mass
237.2964832
Exact Mass
237.07359662
Charge
0
InChI
InChI=1S/C11H12FN3S/c12-8-2-1-3-9-10(8)14-11(16-9)15-6-4-13-5-7-15/h1-3,13H,4-7H2
InChIKey
SOJXHLNSZHYCMH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1nc(s2)N1CCNCC1
Isomeric Smiles
c1(nc2c(s1)cccc2F)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.39624155
LogD (pH = 7.4)
1.2157297
Log P
2.5125391
Molar Refractivity
62.0024
Polarizability
24.57478
Polar Surface Area
28.16
Rotatable Bonds
1
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