Molecule

ID:87643

General Information
Structure
Molecular Formula
C₁₆H₂₄O₃
Molecular Mass
264.35996
Exact Mass
264.17254463
Charge
0
InChI
InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3
InChIKey
JCVLYBQFVTYGKT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOc1ccc(cc1)C(=O)OC
Isomeric Smiles
O(C(=O)c1ccc(cc1)OCCCCCCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.921225
LogD (pH = 7.4)
4.921225
Log P
4.921225
Molar Refractivity
76.8241
Polarizability
30.154114
Polar Surface Area
35.53
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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