Molecule

ID:89266

General Information
Structure
MolImage
Molecular Formula
C₈H₇NS
Molecular Mass
149.21288
Exact Mass
149.02992023
Charge
0
InChI
InChI=1S/C8H7NS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2
InChIKey
ZUPYTANKWDPRDP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ccs2
Isomeric Smiles
s1c2ccc(cc2cc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0099313
LogD (pH = 7.4)
2.020212
Log P
2.0203447
Molar Refractivity
44.0985
Polarizability
17.655584
Polar Surface Area
26.02
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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