Molecule

ID:58045

General Information
Structure
MolImage
Molecular Formula
C₄H₅NS
Molecular Mass
99.1542
Exact Mass
99.01427017
Charge
0
InChI
InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2
InChIKey
JGFBQFKZKSSODQ-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1CC1
Isomeric Smiles
C(=NC1CC1)=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5352145
LogD (pH = 7.4)
1.5352145
Log P
1.5352145
Molar Refractivity
28.5403
Polarizability
11.250191
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
Loading...
References
Loading...
Bioactivity
Loading...