Molecule

ID:79468

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₃
Molecular Mass
264.35996
Exact Mass
264.17254463
Charge
0
InChI
InChI=1S/C16H24O3/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H,17,18)
InChIKey
QLMGIWHWWWXXME-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
O=C(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O
Calculated Properties
JChem
Acid pKa
4.6762295
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5139074
LogD (pH = 7.4)
1.7358787
Log P
4.3975415
Molar Refractivity
76.6783
Polarizability
29.695564
Polar Surface Area
57.53
Rotatable Bonds
4
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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