Molecule

ID:83283

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c1-19-16-9-5-2-6-12(16)10-11-15(18)13-7-3-4-8-14(13)17/h2-11,17H,1H3
InChIKey
SNTIPKTZVAKPOX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1/C=C/C(=O)c1ccccc1O
Isomeric Smiles
O=C(c1c(cccc1)O)/C=C/c1ccccc1OC
Calculated Properties
JChem
Acid pKa
8.194082
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0782175
LogD (pH = 7.4)
4.0148816
Log P
4.0790887
Molar Refractivity
75.3211
Polarizability
28.45769
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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