Molecule

ID:71067

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂S₂
Molecular Mass
190.32946
Exact Mass
190.05984046
Charge
0
InChI
InChI=1S/C7H14N2S2/c1-8-3-5-9(6-4-8)7(10)11-2/h3-6H2,1-2H3
InChIKey
IMVFRUURAMHQKJ-UHFFFAOYSA-N
Canonic Smiles
CSC(=S)N1CCN(CC1)C
Isomeric Smiles
C(=S)(N1CCN(CC1)C)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.32201797
LogD (pH = 7.4)
1.4522128
Log P
1.5279737
Molar Refractivity
56.2196
Polarizability
22.095106
Polar Surface Area
6.48
Rotatable Bonds
1
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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