Molecule

ID:69118

General Information
Structure
MolImage
Molecular Formula
C₇H₅NS
Molecular Mass
135.1863
Exact Mass
135.01427017
Charge
0
InChI
InChI=1S/C7H5NS/c1-3-8-5-6-2-4-9-7(1)6/h1-5H
InChIKey
MKYRMMMSZSVIGD-UHFFFAOYSA-N
Canonic Smiles
c1ncc2c(c1)scc2
Isomeric Smiles
c1c2c(ccn1)scc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6229091
LogD (pH = 7.4)
1.6314875
Log P
1.6315982
Molar Refractivity
37.2412
Polarizability
15.614563
Polar Surface Area
12.89
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
References
Bioactivity
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