Molecule

ID:85855

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS
Molecular Mass
177.26604
Exact Mass
177.06122036
Charge
0
InChI
InChI=1S/C10H11NS/c1-3-9-6-4-5-8(2)10(9)11-7-12/h4-6H,3H2,1-2H3
InChIKey
IPCSOFYQRXYMDN-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(C)cccc1CC
Isomeric Smiles
N(=C=S)c1c(cccc1CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.46648
LogD (pH = 7.4)
4.4664826
Log P
4.4664826
Molar Refractivity
57.8043
Polarizability
21.442133
Polar Surface Area
12.36
Rotatable Bonds
2
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