Molecule

ID:25845

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₃
Molecular Mass
270.32302
Exact Mass
270.12559444
Charge
0
InChI
InChI=1S/C17H18O3/c1-3-13-4-7-16(8-5-13)20-12-15-10-14(11-18)6-9-17(15)19-2/h4-11H,3,12H2,1-2H3
InChIKey
GMWNLVGQWJXMFT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1ccc(cc1)CC)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.052869
LogD (pH = 7.4)
4.052869
Log P
4.052869
Molar Refractivity
79.8232
Polarizability
30.45242
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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