Molecule

ID:84710

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂O₅
Molecular Mass
308.28488
Exact Mass
308.06847348
Charge
0
InChI
InChI=1S/C18H12O5/c19-10-11-1-3-14-13(7-11)9-17(23-14)18(20)12-2-4-15-16(8-12)22-6-5-21-15/h1-4,7-10H,5-6H2
InChIKey
HEANFJLYEVTABF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)cc(o2)C(=O)c1ccc2c(c1)OCCO2
Isomeric Smiles
o1c(cc2c1ccc(c2)C=O)C(=O)c1ccc2c(c1)OCCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7373583
LogD (pH = 7.4)
2.7373583
Log P
2.7373583
Molar Refractivity
82.8935
Polarizability
32.56317
Polar Surface Area
65.74
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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