Molecule

ID:129304

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅O₆+
Molecular Mass
315.2974
Exact Mass
315.0868632
Charge
1
InChI
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1
InChIKey
GNONHFYAESLOCB-UHFFFAOYSA-O
Canonic Smiles
COc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)OC)O
Isomeric Smiles
COc1cc2[o+]c(c(cc2c(c1)O)O)c1cc(c(cc1)O)OC
Calculated Properties
JChem
Acid pKa
6.056174
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
3.0078933
LogD (pH = 7.4)
1.4091394
Log P
3.1137
Molar Refractivity
93.0777
Polarizability
34.163113
Polar Surface Area
92.29
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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