Molecule

ID:127448

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂O₃
Molecular Mass
300.30748
Exact Mass
300.07864424
Charge
0
InChI
InChI=1S/C20H12O3/c21-19-13-7-1-2-8-14(13)20(23-19)15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)20/h1-12H
InChIKey
FWQHNLCNFPYBCA-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2(c3c1cccc3)c1ccccc1Oc1c2cccc1
Isomeric Smiles
O=C1OC2(c3ccccc13)c1ccccc1Oc1ccccc21
Calculated Properties
JChem
LogD (pH = 7.4)
4.49
LogD (pH = 5.5)
4.49
Log P
4.49
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-3.72
Polar Surface Area
35.53
Polarizability
30.94
Molar Refractivity
87.26
LOG S
-5.81
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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