Molecule

ID:41960

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c13-6-10-9-5-8(14)3-4-11(9)15-12(10)7-1-2-7/h3-7,14H,1-2H2
InChIKey
KEAXHKGDLMGQGA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(oc2c1cc(O)cc2)C1CC1
Isomeric Smiles
c1(c(c2c(o1)ccc(c2)O)C=O)C1CC1
Calculated Properties
JChem
Acid pKa
9.003795
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1645017
LogD (pH = 7.4)
2.1540241
Log P
2.1646369
Molar Refractivity
55.8071
Polarizability
21.92309
Polar Surface Area
50.44
Rotatable Bonds
2
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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