Molecule

ID:26535

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂OS
Molecular Mass
274.38122
Exact Mass
274.11398421
Charge
0
InChI
InChI=1S/C15H18N2OS/c1-8(2)10-4-6-11(7-5-10)12-9(3)19-15(17)13(12)14(16)18/h4-8H,17H2,1-3H3,(H2,16,18)
InChIKey
BGFPACGIVOJWHF-UHFFFAOYSA-N
Canonic Smiles
Cc1sc(c(c1c1ccc(cc1)C(C)C)C(=O)N)N
Isomeric Smiles
c1(c(sc(c1c1ccc(cc1)C(C)C)C)N)C(=O)N
Calculated Properties
JChem
Acid pKa
15.670525
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.129493
LogD (pH = 7.4)
4.129493
Log P
4.129493
Molar Refractivity
80.4858
Polarizability
31.110786
Polar Surface Area
69.11
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