Molecule

ID:127560

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆O₄
Molecular Mass
294.38594
Exact Mass
294.18310931
Charge
0
InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
InChIKey
NLDDIKRKFXEWBK-AWEZNQCLSA-N
Canonic Smiles
CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O
Isomeric Smiles
O=C(C[C@@H](O)CCCCC)CCc1cc(OC)c(O)cc1
Calculated Properties
JChem
Acid pKa
9.945873
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.6165044
LogD (pH = 7.4)
3.615294
Log P
3.61652
Molar Refractivity
83.1092
Polarizability
32.557247
Polar Surface Area
66.76
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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