Molecule

ID:43913

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₅
Molecular Mass
300.30594
Exact Mass
300.09977361
Charge
0
InChI
InChI=1S/C17H16O5/c1-20-17(19)14-3-2-4-16(11-14)22-10-9-21-15-7-5-13(12-18)6-8-15/h2-8,11-12H,9-10H2,1H3
InChIKey
VFAYDBUDLWHMLW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCCOc1cccc(c1)C(=O)OC
Isomeric Smiles
C(=O)(c1cc(OCCOc2ccc(C=O)cc2)ccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1756034
LogD (pH = 7.4)
3.1756034
Log P
3.1756034
Molar Refractivity
81.6827
Polarizability
31.283236
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
No Data Available
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Molecule Details
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References
Bioactivity
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