Molecule

ID:136606

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₀S₄
Molecular Mass
494.7978
Exact Mass
494.12303496
Charge
0
InChI
InChI=1S/C28H30S4/c1-3-7-19(8-4-1)21-11-13-23(29-21)25-15-17-27(31-25)28-18-16-26(32-28)24-14-12-22(30-24)20-9-5-2-6-10-20/h11-20H,1-10H2
InChIKey
ZNKBLKKUTYWWAK-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C1CCCCC1
Isomeric Smiles
c1cc(sc1c1ccc(s1)c1ccc(s1)C1CCCCC1)c1ccc(s1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.511784
LogD (pH = 7.4)
10.511784
Log P
10.511784
Molar Refractivity
140.6998
Polarizability
58.39035
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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