Molecule

ID:101710

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂S₂
Molecular Mass
267.36712
Exact Mass
267.03877066
Charge
0
InChI
InChI=1S/C12H13NO2S2/c1-2-15-12(14)10-8-5-3-4-6-9(8)17-11(10)13-7-16/h2-6H2,1H3
InChIKey
UGKJYSQOLXXTJG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N=C=S)sc2c1CCCC2
Isomeric Smiles
c1(c(c2c(s1)CCCC2)C(=O)OCC)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8864875
LogD (pH = 7.4)
4.8864875
Log P
4.8864875
Molar Refractivity
73.5808
Polarizability
27.46312
Polar Surface Area
38.66
Rotatable Bonds
4
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