Molecule

ID:75556

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₃
Molecular Mass
238.2381
Exact Mass
238.06299418
Charge
0
InChI
InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
InChIKey
HVQAJTFOCKOKIN-UHFFFAOYSA-N
Canonic Smiles
O=c1c(O)c(oc2c1cccc2)c1ccccc1
Isomeric Smiles
o1c(c(O)c(=O)c2c1cccc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.292001
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7204907
LogD (pH = 7.4)
2.7150288
Log P
2.7205608
Molar Refractivity
68.9386
Polarizability
25.878508
Polar Surface Area
46.53
Rotatable Bonds
1
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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