Molecule

ID:61310

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₄
Molecular Mass
282.29066
Exact Mass
282.08920893
Charge
0
InChI
InChI=1S/C17H14O4/c1-10-16(12-5-3-4-6-14(12)20-2)17(19)13-8-7-11(18)9-15(13)21-10/h3-9,18H,1-2H3
InChIKey
WRALXEQNHOSAJX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1c(C)oc2c(c1=O)ccc(c2)O
Isomeric Smiles
c1(c(=O)c2c(oc1C)cc(cc2)O)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
6.464435
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.0339837
LogD (pH = 7.4)
2.120505
Log P
3.0784044
Molar Refractivity
80.0034
Polarizability
30.230085
Polar Surface Area
55.76
Rotatable Bonds
1
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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