Molecule

ID:43558

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂OS
Molecular Mass
236.2653632
Exact Mass
236.04196214
Charge
0
InChI
InChI=1S/C11H9FN2OS/c1-7(15)10-6-13-11(16-10)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,14)
InChIKey
UNHZXNHARUONCA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Nc1ncc(s1)C(=O)C
Isomeric Smiles
c1(sc(cn1)C(=O)C)Nc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
12.649223
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.588898
LogD (pH = 7.4)
2.5889995
Log P
2.5890033
Molar Refractivity
59.6292
Polarizability
22.316946
Polar Surface Area
41.99
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