Molecule
ID:91731
General Information
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-14-12(13)10-5-2-4-9(8-10)11-6-3-7-15-11/h2-8H,1H3
InChIKey
JIFLATATBSNBKH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1ccco1
Isomeric Smiles
o1c(ccc1)c1cc(ccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6841948
LogD (pH = 7.4)
2.6841948
Log P
2.6841948
Molar Refractivity
55.6104
Polarizability
22.564747
Polar Surface Area
39.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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