Molecule

ID:109243

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀CaO₄
Molecular Mass
294.3155
Exact Mass
294.02049978
Charge
0
InChI
InChI=1S/C15H12O4.Ca/c16-14(17)12-8-4-7-11(13(12)15(18)19)9-10-5-2-1-3-6-10;/h1-8H,9H2,(H,16,17)(H,18,19);/q;+2/p-2
InChIKey
IZURBWOJHNILLF-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)c1c(cccc1C(=O)[O-])Cc1ccccc1.[Ca+2]
Isomeric Smiles
[Ca+2].[O-]C(=O)c1cccc(Cc2ccccc2)c1C(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.799393
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.3719356
LogD (pH = 7.4)
-2.1295214
Log P
3.3802056
Molar Refractivity
91.9818
Polarizability
26.173742
Polar Surface Area
80.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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