Molecule

ID:40264

General Information
Structure
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c1-19-13-7-9-14(10-8-13)20-15-5-3-2-4-12(15)6-11-16(17)18/h2-11H,1H3,(H,17,18)/b11-6+
InChIKey
RUKABNVTKNTHTM-IZZDOVSWSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccccc1/C=C/C(=O)O
Isomeric Smiles
C(=C\C(=O)O)/c1c(Oc2ccc(cc2)OC)cccc1
Calculated Properties
JChem
Acid pKa
3.7642512
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.741973
LogD (pH = 7.4)
0.2002666
Log P
3.478702
Molar Refractivity
75.7639
Polarizability
29.036684
Polar Surface Area
55.76
Rotatable Bonds
5
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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