Molecule
ID:52005
General Information
Molecular Formula
C₁₀H₁₆N₂S₂
Molecular Mass
228.37744
Exact Mass
228.07549052
Charge
0
InChI
InChI=1S/C10H16N2S2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2
InChIKey
LVGANCPXXODGKA-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCCCCCCN=C=S
Isomeric Smiles
C(CCCCCCCN=C=S)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3233724
LogD (pH = 7.4)
4.3233724
Log P
4.3233724
Molar Refractivity
68.6032
Polarizability
26.928865
Polar Surface Area
24.72
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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