Molecule

ID:61339

General Information
Structure
Molecular Formula
C₁₇H₁₂O₃
Molecular Mass
264.27538
Exact Mass
264.07864424
Charge
0
InChI
InChI=1S/C17H12O3/c18-13-9-10-14-16(11-13)20-15(17(14)19)8-4-7-12-5-2-1-3-6-12/h1-11,18H/b7-4+,15-8-
InChIKey
ZSYCWSICLOFYGZ-GVEAZFNLSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/C2=O
Isomeric Smiles
c12c(O/C(=C\C=C\c3ccccc3)/C1=O)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.653812
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4229093
LogD (pH = 7.4)
3.2352302
Log P
3.4259248
Molar Refractivity
79.3458
Polarizability
29.322527
Polar Surface Area
46.53
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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