Molecule
ID:121467
General Information
Molecular Formula
C₁₃H₁₀O₃
Molecular Mass
214.2167
Exact Mass
214.06299418
Charge
0
InChI
InChI=1S/C13H10O3/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9H,(H,14,15)/b9-7+
InChIKey
GGEKLCJBCQCQPL-VQHVLOKHSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(o1)c1ccccc1
Isomeric Smiles
c1(oc(cc1)/C=C/C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.0206895
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2739311
LogD (pH = 7.4)
-0.38352337
Log P
2.7635593
Molar Refractivity
60.4645
Polarizability
24.015368
Polar Surface Area
50.44
Rotatable Bonds
3
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
No Data Available
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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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