Molecule

ID:81800

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NS
Molecular Mass
153.24464
Exact Mass
153.06122036
Charge
0
InChI
InChI=1S/C8H11NS/c10-5-9-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2
InChIKey
RBGDFYZLQKZUCO-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1CC2CC1CC2
Isomeric Smiles
N(=C=S)C1C2CC(C1)CC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.612618
LogD (pH = 7.4)
2.612618
Log P
2.612618
Molar Refractivity
44.9603
Polarizability
17.89543
Polar Surface Area
12.36
Rotatable Bonds
1
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