Molecule

ID:15944

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀O₂S₂
Molecular Mass
390.6024
Exact Mass
390.1687222
Charge
0
InChI
InChI=1S/C22H30O2S2/c1-3-5-7-11-15-25-21-19(23)17-13-9-10-14-18(17)20(24)22(21)26-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKey
NAROQAYBHJKVTI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCSC1=C(SCCCCCC)C(=O)c2c(C1=O)cccc2
Isomeric Smiles
C1(=O)C(=C(C(=O)c2ccccc12)SCCCCCC)SCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4765663
LogD (pH = 7.4)
6.4765663
Log P
6.4765663
Molar Refractivity
117.9236
Polarizability
45.113243
Polar Surface Area
34.14
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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