Molecule

ID:51352

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂OS
Molecular Mass
232.30148
Exact Mass
232.06703401
Charge
0
InChI
InChI=1S/C12H12N2OS/c1-15-10-3-5-11(6-4-10)16-12-7-2-9(13)8-14-12/h2-8H,13H2,1H3
InChIKey
TUSQFWHRJUNOHC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Sc1ccc(cn1)N
Isomeric Smiles
n1c(Sc2ccc(cc2)OC)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5503523
LogD (pH = 7.4)
2.55216
Log P
2.5521832
Molar Refractivity
68.0623
Polarizability
25.72349
Polar Surface Area
48.14
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