Molecule

ID:81867

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₄
Molecular Mass
200.23164
Exact Mass
200.10485899
Charge
0
InChI
InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
InChIKey
JPNJEJSZSMXWSV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCC1)C(=O)OCC
Isomeric Smiles
O=C(C1(C(=O)OCC)CCC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7541301
LogD (pH = 7.4)
1.7541301
Log P
1.7541301
Molar Refractivity
49.8975
Polarizability
20.010502
Polar Surface Area
52.6
Rotatable Bonds
6
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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