Molecule

ID:59910

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₄
Molecular Mass
282.29066
Exact Mass
282.08920893
Charge
0
InChI
InChI=1S/C17H14O4/c1-10-12-7-8-14(18)15(19)16(12)21-17(20)13(10)9-11-5-3-2-4-6-11/h2-8,18-19H,9H2,1H3
InChIKey
DLDOVDSFVAFCQE-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c(O)c(O)ccc2c(c1Cc1ccccc1)C
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2O)O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
7.9813094
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.0981255
LogD (pH = 7.4)
3.999197
Log P
4.099547
Molar Refractivity
78.8455
Polarizability
30.183958
Polar Surface Area
66.76
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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