Molecule

ID:35492

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃S
Molecular Mass
318.39072
Exact Mass
318.10381345
Charge
0
InChI
InChI=1S/C16H18N2O3S/c1-4-21-16(20)12-10(3)13(22-14(12)17)15(19)18-11-7-5-9(2)6-8-11/h5-8H,4,17H2,1-3H3,(H,18,19)
InChIKey
NCFGDIOCFOGBDV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc(c1C)C(=O)Nc1ccc(cc1)C
Isomeric Smiles
c1(c(sc(c1C)C(=O)Nc1ccc(cc1)C)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.888465
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.3522096
LogD (pH = 7.4)
4.352196
Log P
4.3522096
Molar Refractivity
89.198
Polarizability
32.573654
Polar Surface Area
81.42
Rotatable Bonds
5
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