Molecule

ID:89303

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c1-12-8-9-14(16(17)18-2)10-15(12)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
NIFKZZQLVQCGIA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OCc1ccccc1)C
Isomeric Smiles
O=C(c1cc(c(cc1)C)OCc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.056946
LogD (pH = 7.4)
4.056946
Log P
4.056946
Molar Refractivity
74.2003
Polarizability
28.62
Polar Surface Area
35.53
Rotatable Bonds
5
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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