Molecule

ID:51273

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NS
Molecular Mass
171.30298
Exact Mass
171.10817055
Charge
0
InChI
InChI=1S/C9H17NS/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8,10H,2-7H2,1H3
InChIKey
OWSMXZFIYFMBQY-UHFFFAOYSA-N
Canonic Smiles
CC1CCC2(CC1)NCCS2
Isomeric Smiles
C12(NCCS1)CCC(CC2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8141932
LogD (pH = 7.4)
0.6206474
Log P
2.2459364
Molar Refractivity
50.9565
Polarizability
20.455978
Polar Surface Area
12.03
Rotatable Bonds
0
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