Molecule

ID:115865

General Information
Structure
MolImage
Molecular Formula
C₇H₉NS
Molecular Mass
139.21806
Exact Mass
139.04557029
Charge
0
InChI
InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2
InChIKey
OGUWOLDNYOTRBO-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)scc2
Isomeric Smiles
c12c(scc1)CCNC2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5605778
LogD (pH = 7.4)
-0.0999507
Log P
1.4843645
Molar Refractivity
39.6159
Polarizability
15.212792
Polar Surface Area
12.03
Rotatable Bonds
0
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
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References
Bioactivity
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