Molecule

ID:134078

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅KOS₂
Molecular Mass
266.4645
Exact Mass
266.02013878
Charge
0
InChI
InChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1/t6-,7?,8?,9-,10?;/m1./s1
InChIKey
IGULCCCBGBDZKQ-HJPGVBIPSA-M
Canonic Smiles
[K]SC(=S)OC1C[C@@H]2C[C@H]1C1C2CCC1
Isomeric Smiles
C1CC2[C@H]3C[C@@H](C2C1)C(C3)OC(=S)S[K]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1175
LogD (pH = 7.4)
2.1175
Log P
2.1175
Molar Refractivity
63.3011
Polarizability
28.196167
Polar Surface Area
9.23
Rotatable Bonds
3
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
References
Bioactivity
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