Molecule

ID:88174

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₄
Molecular Mass
158.1519
Exact Mass
158.0579088
Charge
0
InChI
InChI=1S/C7H10O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H2,1-2H3
InChIKey
PWLLZZMFFZUSOG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(CC1)C(=O)OC
Isomeric Smiles
O(C(=O)C1(C(=O)OC)CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.59594554
LogD (pH = 7.4)
0.59594554
Log P
0.59594554
Molar Refractivity
35.7993
Polarizability
14.54669
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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