Molecule

ID:59507

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1,3,7H2
InChIKey
OANLWIQYRRVBPY-UHFFFAOYSA-N
Canonic Smiles
NCCc1cscc1
Isomeric Smiles
s1cc(cc1)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8367493
LogD (pH = 7.4)
-1.0647765
Log P
1.1681174
Molar Refractivity
36.3922
Polarizability
14.099807
Polar Surface Area
26.02
Rotatable Bonds
2
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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