Molecule

ID:90524

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
InChIKey
VGRVKVGGUPOCMT-UHFFFAOYSA-N
Canonic Smiles
CCc1scc(n1)C
Isomeric Smiles
n1c(scc1C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5841739
LogD (pH = 7.4)
1.5869735
Log P
1.5870093
Molar Refractivity
34.9255
Polarizability
13.462271
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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