Molecule

ID:85034

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c1-19-13-8-6-11(7-9-13)16-17(20-16)10-12-4-2-3-5-14(12)15(17)18/h2-9,16H,10H2,1H3
InChIKey
LZNLWNYATXBVFQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1OC21Cc1c(C2=O)cccc1
Isomeric Smiles
O1C2(C1c1ccc(cc1)OC)C(=O)c1ccccc1C2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1396184
LogD (pH = 7.4)
3.1396184
Log P
3.1396184
Molar Refractivity
74.7108
Polarizability
29.080126
Polar Surface Area
38.83
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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