Molecule
ID:59913
General Information
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c18-15-7-3-6-12-11(15)8-9-13-10-4-1-2-5-14(10)17(19)20-16(12)13/h3,6-9,18H,1-2,4-5H2
InChIKey
RJMGRGVAXQHCTH-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c(c3c1CCCC3)ccc1c2cccc1O
Isomeric Smiles
c12oc(=O)c3c(c1ccc1c2cccc1O)CCCC3
Calculated Properties
JChem
Acid pKa
9.516704
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.589586
LogD (pH = 7.4)
3.5863414
Log P
3.5896275
Molar Refractivity
76.0186
Polarizability
30.462357
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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