Molecule
ID:51950
General Information
Molecular Formula
C₈H₁₃NS
Molecular Mass
155.26052
Exact Mass
155.07687042
Charge
0
InChI
InChI=1S/C8H13NS/c10-7-9-8-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey
ZGNJAJWMDQTLQC-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1CCCCCC1
Isomeric Smiles
C1(CCCCCC1)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3134892
LogD (pH = 7.4)
3.3134892
Log P
3.3134892
Molar Refractivity
46.9443
Polarizability
18.633682
Polar Surface Area
12.36
Rotatable Bonds
1
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...