Molecule

ID:82041

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆S
Molecular Mass
168.29904
Exact Mass
168.09727151
Charge
0
InChI
InChI=1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3
InChIKey
JEDHEMYZURJGRQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1cscc1
Isomeric Smiles
s1cc(CCCCCC)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4899526
LogD (pH = 7.4)
4.4899526
Log P
4.4899526
Molar Refractivity
51.21
Polarizability
19.950531
Polar Surface Area
0.0
Rotatable Bonds
5
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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