Molecule

ID:42371

General Information
Structure
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-10-13-7-6-12(17-13)8-9-14(16)11-4-2-1-3-5-11/h1-10H/b9-8+
InChIKey
WUJBMWMNRLSJID-CMDGGOBGSA-N
Canonic Smiles
O=Cc1ccc(o1)/C=C/C(=O)c1ccccc1
Isomeric Smiles
o1c(/C=C/C(=O)c2ccccc2)ccc1C=O
Calculated Properties
JChem
Acid pKa
14.74528
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5830755
LogD (pH = 7.4)
2.5830755
Log P
2.5830755
Molar Refractivity
65.7294
Polarizability
24.097279
Polar Surface Area
47.28
Rotatable Bonds
4
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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