Molecule

ID:86398

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChIKey
SWZNXCABBUKIPZ-UHFFFAOYSA-N
Canonic Smiles
NCc1sccc1C
Isomeric Smiles
s1c(c(cc1)C)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4018543
LogD (pH = 7.4)
-0.15536062
Log P
1.5253171
Molar Refractivity
36.4625
Polarizability
14.098844
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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