Molecule

ID:37572

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂OS₂
Molecular Mass
260.4193
Exact Mass
260.10170527
Charge
0
InChI
InChI=1S/C11H20N2OS2/c1-11(2)9(12-14)13(10(15)16-11)8-6-4-3-5-7-8/h8-9,12,14H,3-7H2,1-2H3
InChIKey
MARVXSTVXUJOIP-UHFFFAOYSA-N
Canonic Smiles
ONC1N(C2CCCCC2)C(=S)SC1(C)C
Isomeric Smiles
C1(C(SC(=S)N1C1CCCCC1)(C)C)NO
Calculated Properties
JChem
Acid pKa
15.531777
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3255026
LogD (pH = 7.4)
3.3318684
Log P
3.3319502
Molar Refractivity
83.3641
Polarizability
29.346346
Polar Surface Area
35.5
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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