Molecule

ID:43899

General Information
Structure
Molecular Formula
C₁₈H₁₈O₅
Molecular Mass
314.33252
Exact Mass
314.11542368
Charge
0
InChI
InChI=1S/C18H18O5/c1-13(19)14-3-7-16(8-4-14)22-11-12-23-17-9-5-15(6-10-17)18(20)21-2/h3-10H,11-12H2,1-2H3
InChIKey
KVIGLOOTYXRDMO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCOc1ccc(C(=O)C)cc1)OC
Calculated Properties
JChem
Acid pKa
16.273409
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0207486
LogD (pH = 7.4)
3.0207486
Log P
3.0207486
Molar Refractivity
85.5015
Polarizability
33.119286
Polar Surface Area
61.83
Rotatable Bonds
8
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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