Molecule

ID:42791

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-19-17(18)13-5-3-12(4-6-13)14-7-8-15-16(11-14)21-10-2-9-20-15/h3-8,11H,2,9-10H2,1H3
InChIKey
MOGKNGBKMKLEPU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccc2c(c1)OCCCO2
Isomeric Smiles
c12cc(c3ccc(C(=O)OC)cc3)ccc1OCCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1970403
LogD (pH = 7.4)
3.1970403
Log P
3.1970403
Molar Refractivity
79.0423
Polarizability
31.84189
Polar Surface Area
44.76
Rotatable Bonds
3
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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