Molecule

ID:82880

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂O₂S₂
Molecular Mass
312.40598
Exact Mass
312.02787162
Charge
0
InChI
InChI=1S/C17H12O2S2/c18-14(16-7-4-11-20-16)8-9-17-15(10-12-21-17)19-13-5-2-1-3-6-13/h1-12H
InChIKey
SVOPFTFJXVYQCT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccs1)/C=C/c1sccc1Oc1ccccc1
Isomeric Smiles
s1c(c(cc1)Oc1ccccc1)/C=C/C(=O)c1cccs1
Calculated Properties
JChem
Acid pKa
14.011662
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2163754
LogD (pH = 7.4)
5.2163754
Log P
5.2163754
Molar Refractivity
86.8976
Polarizability
32.97392
Polar Surface Area
26.3
Rotatable Bonds
5
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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