Molecule

ID:14055

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₃
Molecular Mass
162.14214
Exact Mass
162.03169405
Charge
0
InChI
InChI=1S/C9H6O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)
InChIKey
BENJFDPHDCGUAQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1coc2c1cccc2
Isomeric Smiles
c1(coc2c1cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2581363
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5261248
LogD (pH = 7.4)
-1.2031186
Log P
1.7899522
Molar Refractivity
42.1553
Polarizability
17.03661
Polar Surface Area
50.44
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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