Molecule

ID:84880

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₄
Molecular Mass
254.32208
Exact Mass
254.15180918
Charge
0
InChI
InChI=1S/C14H22O4/c1-11(8-9-17-13(3)15)6-5-7-12(2)10-18-14(4)16/h7-8H,5-6,9-10H2,1-4H3
InChIKey
PJAHPEXZNWUNLF-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\COC(=O)C)/CC/C=C(/COC(=O)C)\C
Isomeric Smiles
O=C(OC/C(=C/CC/C(=C/COC(=O)C)/C)/C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.103863
LogD (pH = 7.4)
2.103863
Log P
2.103863
Molar Refractivity
71.2598
Polarizability
27.568277
Polar Surface Area
52.6
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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