Molecule

ID:53602

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂O₇
Molecular Mass
364.30508
Exact Mass
364.05830272
Charge
0
InChI
InChI=1S/C20H12O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h1-8,21,23-24H,(H,25,26)
InChIKey
QCGYJIWVJKJCCH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1c2ccc(c(c2oc2c1ccc(=O)c2O)O)O
Isomeric Smiles
c12c(c(c3c(o1)c(c(cc3)O)O)c1c(C(=O)O)cccc1)ccc(=O)c2O
Calculated Properties
JChem
Acid pKa
3.63197
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
0.5501517
LogD (pH = 7.4)
-1.6907872
Log P
2.3012242
Molar Refractivity
107.3609
Polarizability
35.661415
Polar Surface Area
124.29
Rotatable Bonds
1
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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