Molecule

ID:10929

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃N₃O₂S
Molecular Mass
263.31552
Exact Mass
263.07284767
Charge
0
InChI
InChI=1S/C12H13N3O2S/c1-17-10-5-3-2-4-9(10)15-11(16)6-8-7-18-12(13)14-8/h2-5,7H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKey
SCVAHUKCCFIESA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)Cc1csc(n1)N
Isomeric Smiles
n1c(scc1CC(=O)Nc1ccccc1OC)N
Calculated Properties
JChem
Acid pKa
12.292492
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7457148
LogD (pH = 7.4)
1.7870319
Log P
1.7875919
Molar Refractivity
71.1162
Polarizability
26.26796
Polar Surface Area
77.24
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