Molecule

ID:30773

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NS
Molecular Mass
141.23394
Exact Mass
141.06122036
Charge
0
InChI
InChI=1S/C7H11NS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5,8H2,1H3
InChIKey
VAYWLNRNWZOIAG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)CCN
Isomeric Smiles
s1c(ccc1C)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0528661
LogD (pH = 7.4)
-0.2175921
Log P
1.9464177
Molar Refractivity
41.343
Polarizability
15.864782
Polar Surface Area
26.02
Rotatable Bonds
2
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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