Molecule
ID:24781
General Information
Molecular Formula
C₈H₁₇NS
Molecular Mass
159.29228
Exact Mass
159.10817055
Charge
0
InChI
InChI=1S/C8H17NS/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-7,9H2
InChIKey
MDNQNAWXAWNTFN-UHFFFAOYSA-N
Canonic Smiles
NCCSC1CCCCC1
Isomeric Smiles
S(C1CCCCC1)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2465633
LogD (pH = 7.4)
-0.47856435
Log P
1.7586249
Molar Refractivity
48.1573
Polarizability
19.341436
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...