Molecule

ID:16928

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂S
Molecular Mass
238.73644
Exact Mass
238.03314704
Charge
0
InChI
InChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5-6,13H2
InChIKey
BWKAGQFZLFDPOW-UHFFFAOYSA-N
Canonic Smiles
NCCc1scc(n1)c1ccc(cc1)Cl
Isomeric Smiles
c1(c2ccc(cc2)Cl)nc(sc1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27240008
LogD (pH = 7.4)
0.7425629
Log P
2.7051065
Molar Refractivity
63.3352
Polarizability
26.0379
Polar Surface Area
38.91
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