Molecule

ID:34827

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
InChIKey
HVLUYXIJZLDNIS-UHFFFAOYSA-N
Canonic Smiles
NCCc1cccs1
Isomeric Smiles
s1c(ccc1)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6962632
LogD (pH = 7.4)
-0.8360078
Log P
1.3005568
Molar Refractivity
36.2867
Polarizability
14.103167
Polar Surface Area
26.02
Rotatable Bonds
2
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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