Molecule

ID:105545

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/t9-,10-,11+,12+,13?,14+/m1/s1
InChIKey
HQTCRHINASMQOA-XRMWQQSCSA-N
Canonic Smiles
CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H]2[C@@H]1O2)c1ccccc1
Isomeric Smiles
[C@@H]12[C@H](O2)[C@H](O[C@H]2[C@H]1OC(OC2)c1ccccc1)OC
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
46.15
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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