Molecule

ID:40280

General Information
Structure
Molecular Formula
C₁₄H₁₂O₂S
Molecular Mass
244.30888
Exact Mass
244.05580062
Charge
0
InChI
InChI=1S/C14H12O2S/c1-16-14(15)12-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12/h2-5,8H,6-7H2,1H3
InChIKey
UYQCQEAAPIETRL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(s1)c1ccccc1CC2
Isomeric Smiles
c12sc(cc1CCc1c2cccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0966525
LogD (pH = 7.4)
4.0966525
Log P
4.0966525
Molar Refractivity
68.1737
Polarizability
27.16645
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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