Molecule

ID:61333

General Information
Structure
Molecular Formula
C₁₅H₁₀O₃
Molecular Mass
238.2381
Exact Mass
238.06299418
Charge
0
InChI
InChI=1S/C15H10O3/c16-11-6-7-12-13(9-11)18-14(15(12)17)8-10-4-2-1-3-5-10/h1-9,16H/b14-8-
InChIKey
KDGIFQNPGMXJCY-ZSOIEALJSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1ccccc1)/C2=O
Isomeric Smiles
C\1(=C\c2ccccc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.652429
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.895684
LogD (pH = 7.4)
2.707525
Log P
2.898709
Molar Refractivity
69.0272
Polarizability
25.871933
Polar Surface Area
46.53
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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