Molecule

ID:84564

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂S
Molecular Mass
272.32228
Exact Mass
272.06194863
Charge
0
InChI
InChI=1S/C14H12N2O2S/c1-2-18-13(17)10-5-6-11-12(9-10)19-14(15-11)16-7-3-4-8-16/h3-9H,2H2,1H3
InChIKey
KEXSQRQUXNOTTA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)sc(n2)n1cccc1
Isomeric Smiles
n1c(n2cccc2)sc2cc(ccc12)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7871537
LogD (pH = 7.4)
3.7871995
Log P
3.7872
Molar Refractivity
83.1283
Polarizability
29.200895
Polar Surface Area
44.12
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