Molecule

ID:35087

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NS
Molecular Mass
165.25534
Exact Mass
165.06122036
Charge
0
InChI
InChI=1S/C9H11NS/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,7,10H,6H2,1H3
InChIKey
QZSCUJZRZIIVBM-UHFFFAOYSA-N
Canonic Smiles
CC1CNc2c(S1)cccc2
Isomeric Smiles
S1c2c(NCC1C)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.020808
LogD (pH = 7.4)
2.0336158
Log P
2.0337815
Molar Refractivity
51.6359
Polarizability
19.323717
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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