Molecule

ID:127427

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₅
Molecular Mass
274.26866
Exact Mass
274.08412355
Charge
0
InChI
InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2
InChIKey
VFZYLYJWCROVLO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)OC(C(C2)O)c1ccc(c(c1)O)O
Isomeric Smiles
Oc1ccc2c(c1)OC(C(C2)O)c1ccc(c(c1)O)O
Calculated Properties
JChem
Acid pKa
9.089226
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
2.0985613
LogD (pH = 7.4)
2.0899036
Log P
2.0986724
Molar Refractivity
72.0188
Polarizability
27.774532
Polar Surface Area
90.15
Rotatable Bonds
1
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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