Molecule

ID:85302

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₃
Molecular Mass
198.25882
Exact Mass
198.12559444
Charge
0
InChI
InChI=1S/C11H18O3/c1-2-14-11(13)8-4-6-9-5-3-7-10(9)12/h9H,2-8H2,1H3
InChIKey
PXEGWANUQPGSFA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCC1CCCC1=O
Isomeric Smiles
O=C1C(CCCC(=O)OCC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1027782
LogD (pH = 7.4)
2.1027782
Log P
2.1027782
Molar Refractivity
53.207
Polarizability
21.113459
Polar Surface Area
43.37
Rotatable Bonds
6
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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