Molecule

ID:40515

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₃
Molecular Mass
254.28056
Exact Mass
254.09429431
Charge
0
InChI
InChI=1S/C16H14O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,17,18)/b11-8+
InChIKey
HCMSDYVKYZIYGA-DHZHZOJOSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=O)(/C=C/c1ccc(OCc2ccccc2)cc1)O
Calculated Properties
JChem
Acid pKa
3.9751747
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1695578
LogD (pH = 7.4)
0.5297525
Log P
3.702888
Molar Refractivity
74.1357
Polarizability
28.300636
Polar Surface Area
46.53
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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