Molecule

ID:59645

General Information
Structure
Molecular Formula
C₁₇H₁₄O₄
Molecular Mass
282.29066
Exact Mass
282.08920893
Charge
0
InChI
InChI=1S/C17H14O4/c1-10-15(18)8-7-13-14(9-16(19)21-17(10)13)11-3-5-12(20-2)6-4-11/h3-9,18H,1-2H3
InChIKey
PRLPBOOVTNGOJN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)O
Isomeric Smiles
c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)O
Calculated Properties
JChem
Acid pKa
8.168751
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2678182
LogD (pH = 7.4)
3.2008789
Log P
3.268743
Molar Refractivity
88.5866
Polarizability
30.16833
Polar Surface Area
55.76
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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