Molecule

ID:34671

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆O₃
Molecular Mass
278.38654
Exact Mass
278.18819469
Charge
0
InChI
InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)
InChIKey
WPMYUUITDBHVQZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
c1(c(C(C)(C)C)cc(cc1C(C)(C)C)CCC(=O)O)O
Calculated Properties
JChem
Acid pKa
4.7939076
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.058665
LogD (pH = 7.4)
2.2836976
Log P
4.84211
Molar Refractivity
81.2793
Polarizability
31.538666
Polar Surface Area
57.53
Rotatable Bonds
5
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
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References
Bioactivity
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