Molecule

ID:41527

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c1-19-16(18)15(13-5-3-2-4-6-13)20-14-9-7-12(11-17)8-10-14/h2-11,15H,1H3
InChIKey
WTMNVUIPZOZQIT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1)Oc1ccc(cc1)C=O
Isomeric Smiles
C(C(=O)OC)(Oc1ccc(C=O)cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0883837
LogD (pH = 7.4)
3.0883837
Log P
3.0883837
Molar Refractivity
74.3168
Polarizability
28.77523
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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