Molecule

ID:73391

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₃
Molecular Mass
270.32302
Exact Mass
270.12559444
Charge
0
InChI
InChI=1S/C17H18O3/c1-2-19-17(18)12-14-8-10-16(11-9-14)20-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKey
MMKJGLKGTNSPFJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)CC(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.680498
LogD (pH = 7.4)
3.680498
Log P
3.680498
Molar Refractivity
77.9591
Polarizability
30.566853
Polar Surface Area
35.53
Rotatable Bonds
7
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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