Molecule

ID:82921

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄O₂S
Molecular Mass
364.50046
Exact Mass
364.14970101
Charge
0
InChI
InChI=1S/C23H24O2S/c1-25-20-13-10-19(11-14-20)12-16-22(24)23-17-15-21(26-23)9-5-8-18-6-3-2-4-7-18/h10-18H,2-4,6-8H2,1H3
InChIKey
PKHJXLXJNNPZJC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc(s1)C#CCC1CCCCC1
Isomeric Smiles
s1c(ccc1C#CCC1CCCCC1)C(=O)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
16.012669
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.8113766
LogD (pH = 7.4)
6.8113766
Log P
6.8113766
Molar Refractivity
106.4387
Polarizability
41.26542
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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