Molecule

ID:44233

General Information
Structure
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11,17H,1H3/b11-4+
InChIKey
WSEGRADBFAKNHQ-NYYWCZLTSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)O
Isomeric Smiles
C(=C\c1ccc(cc1)O)/C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
9.035393
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.428963
LogD (pH = 7.4)
3.419207
Log P
3.4290888
Molar Refractivity
75.3211
Polarizability
28.452751
Polar Surface Area
46.53
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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