Molecule

ID:74510

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₄
Molecular Mass
202.24752
Exact Mass
202.12050906
Charge
0
InChI
InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
InChIKey
LNLCRJXCNQABMV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCC(=O)OC
Isomeric Smiles
O=C(OC)CCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6715798
LogD (pH = 7.4)
1.6715798
Log P
1.6715798
Molar Refractivity
51.4792
Polarizability
20.722631
Polar Surface Area
52.6
Rotatable Bonds
9
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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