Molecule

ID:40563

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NOS
Molecular Mass
195.28132
Exact Mass
195.07178504
Charge
0
InChI
InChI=1S/C10H13NOS/c1-8(11(2)3)7-9(12)10-5-4-6-13-10/h4-7H,1-3H3/b8-7+
InChIKey
NXGSXJMLDZJGIZ-BQYQJAHWSA-N
Canonic Smiles
C/C(=C\C(=O)c1cccs1)/N(C)C
Isomeric Smiles
C(=C(\N(C)C)/C)/C(=O)c1sccc1
Calculated Properties
JChem
Acid pKa
16.45842
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0816238
LogD (pH = 7.4)
1.833843
Log P
1.860442
Molar Refractivity
57.522
Polarizability
20.99053
Polar Surface Area
20.31
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