Molecule

ID:77248

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3
InChIKey
RTCVAWRRHHSOCC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)O
Isomeric Smiles
O=C(c1ccc(cc1)O)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
7.8732567
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.427266
LogD (pH = 7.4)
3.304132
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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