Molecule

ID:27289

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂OS
Molecular Mass
224.32254
Exact Mass
224.09833414
Charge
0
InChI
InChI=1S/C11H16N2OS/c1-2-7-3-4-8-9(11(14)13-12)6-15-10(8)5-7/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKey
KCYUHNSKVLQILF-UHFFFAOYSA-N
Canonic Smiles
CCC1CCc2c(C1)scc2C(=O)NN
Isomeric Smiles
c1(c2c(sc1)CC(CC2)CC)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.699082
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6233845
LogD (pH = 7.4)
2.6241243
Log P
2.6241338
Molar Refractivity
63.2962
Polarizability
23.421473
Polar Surface Area
55.12
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
Navigation
6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide|6-Ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide|6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide | Molfinder