Molecule

ID:133980

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₅
Molecular Mass
264.27384
Exact Mass
264.09977361
Charge
0
InChI
InChI=1S/C14H16O5/c1-15-14-12-11(18-12)10-9(17-14)7-16-13(19-10)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3
InChIKey
HQTCRHINASMQOA-UHFFFAOYSA-N
Canonic Smiles
COC1OC2COC(OC2C2C1O2)c1ccccc1
Isomeric Smiles
COC1C2C(O2)C2C(O1)COC(O2)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.0373702
LogD (pH = 7.4)
2.0373702
Log P
2.0373702
Molar Refractivity
64.0481
Polarizability
26.383327
Polar Surface Area
49.45
Rotatable Bonds
2
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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