Molecule

ID:12283

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅FN₂O₂S
Molecular Mass
258.3124032
Exact Mass
258.08382695
Charge
0
InChI
InChI=1S/C11H15FN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
DZTMMTKMPVAHPW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)S(=O)(=O)C)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1c(cc(cc1)F)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.653532
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3233888
LogD (pH = 7.4)
-0.6739865
Log P
0.5283718
Molar Refractivity
65.462
Polarizability
25.329443
Polar Surface Area
49.41
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