Molecule

ID:41312

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c1-19-16(18)7-4-10-20-15-9-8-12-5-2-3-6-13(12)14(15)11-17/h2-9,11H,10H2,1H3/b7-4+
InChIKey
YYQGSISCSZDITA-QPJJXVBHSA-N
Canonic Smiles
COC(=O)/C=C/COc1ccc2c(c1C=O)cccc2
Isomeric Smiles
c1(c2c(ccc1OC/C=C/C(=O)OC)cccc2)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0541692
LogD (pH = 7.4)
3.0541692
Log P
3.0541692
Molar Refractivity
76.8028
Polarizability
30.137629
Polar Surface Area
52.6
Rotatable Bonds
6
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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