Molecule

ID:123423

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₄
Molecular Mass
158.1519
Exact Mass
158.0579088
Charge
0
InChI
InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+
InChIKey
SKCGFFOFYXLNCG-ONEGZZNKSA-N
Canonic Smiles
COC(=O)C/C=C/C(=O)OC
Isomeric Smiles
C(=O)(/C=C/CC(=O)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.56903064
LogD (pH = 7.4)
0.56903064
Log P
0.56903064
Molar Refractivity
38.7695
Polarizability
14.996215
Polar Surface Area
52.6
Rotatable Bonds
5
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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