Molecule

ID:40267

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-12-6-9-14(10-7-12)19-15-5-3-2-4-13(15)8-11-16(17)18/h2-11H,1H3,(H,17,18)/b11-8+
InChIKey
PXNQHBBTUXRJAP-DHZHZOJOSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1Oc1ccc(cc1)C
Isomeric Smiles
C(=C\C(=O)O)/c1c(Oc2ccc(cc2)C)cccc1
Calculated Properties
JChem
Acid pKa
3.969203
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6107237
LogD (pH = 7.4)
0.97332764
Log P
4.149795
Molar Refractivity
74.3419
Polarizability
28.286263
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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