Molecule

ID:11260

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NOS
Molecular Mass
215.35554
Exact Mass
215.1343853
Charge
0
InChI
InChI=1S/C11H21NOS/c1-4-7-11(13,8-5-2)10(12)6-9-14-3/h4-5,10,13H,1-2,6-9,12H2,3H3
InChIKey
IASBFWGOKYWONK-UHFFFAOYSA-N
Canonic Smiles
CSCCC(C(CC=C)(CC=C)O)N
Isomeric Smiles
C=CCC(CC=C)(O)C(CCSC)N
Calculated Properties
JChem
Acid pKa
14.077889
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.238879
LogD (pH = 7.4)
-0.61051416
Log P
1.7758003
Molar Refractivity
65.1138
Polarizability
25.729868
Polar Surface Area
46.25
Rotatable Bonds
8
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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