Molecule

ID:59747

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₄
Molecular Mass
282.29066
Exact Mass
282.08920893
Charge
0
InChI
InChI=1S/C17H14O4/c1-10-12-8-14(18)15(19)9-16(12)21-17(20)13(10)7-11-5-3-2-4-6-11/h2-6,8-9,18-19H,7H2,1H3
InChIKey
KGSBZRWRGBQMJK-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2cc(O)c(cc2c(c1Cc1ccccc1)C)O
Isomeric Smiles
c1(c(c2c(oc1=O)cc(c(c2)O)O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
7.8514447
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4476311
LogD (pH = 7.4)
3.319128
Log P
3.4495468
Molar Refractivity
78.8455
Polarizability
30.181538
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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