Molecule

ID:91963

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3
InChIKey
CMOIEFFAOUQJPS-UHFFFAOYSA-N
Canonic Smiles
CCCc1nccs1
Isomeric Smiles
n1c(scc1)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8966792
LogD (pH = 7.4)
1.9001632
Log P
1.9002079
Molar Refractivity
34.935
Polarizability
13.544866
Polar Surface Area
12.89
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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