Molecule

ID:43920

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₅
Molecular Mass
314.33252
Exact Mass
314.11542368
Charge
0
InChI
InChI=1S/C18H18O5/c1-21-18(20)15-6-8-16(9-7-15)22-10-3-11-23-17-5-2-4-14(12-17)13-19/h2,4-9,12-13H,3,10-11H2,1H3
InChIKey
JHPGIJXWQOMDPR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCCOc1cccc(c1)C=O
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCCOc1cc(C=O)ccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2355633
LogD (pH = 7.4)
3.2355633
Log P
3.2355633
Molar Refractivity
86.5481
Polarizability
33.120937
Polar Surface Area
61.83
Rotatable Bonds
9
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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