Molecule

ID:36435

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-7-3-8(2)12-10(4-7)11(14)9(5-13)6-15-12/h3-6H,1-2H3
InChIKey
KVVDPSWFSZPYET-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)cc(cc2C)C
Isomeric Smiles
c1(cc(c2c(c1)c(=O)c(co2)C=O)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1249502
LogD (pH = 7.4)
2.1249502
Log P
2.1249502
Molar Refractivity
56.5194
Polarizability
21.057268
Polar Surface Area
43.37
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
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References
Bioactivity
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