Molecule

ID:135013

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChIKey
NIQCNGHVCWTJSM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1C(=O)OC
Isomeric Smiles
COC(=O)c1ccccc1C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9801997
LogD (pH = 7.4)
1.9801997
Log P
1.9801997
Molar Refractivity
50.1086
Polarizability
19.209887
Polar Surface Area
52.6
Rotatable Bonds
4
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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