Molecule
ID:79714
General Information
Molecular Formula
C₁₀H₁₆O₃
Molecular Mass
184.23224
Exact Mass
184.10994437
Charge
0
InChI
InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)
InChIKey
INJRDZMWIAYEMM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CCCCC/C=C/C(=O)O
Isomeric Smiles
O=C(/C=C/CCCCCC(=O)C)O
Calculated Properties
JChem
Acid pKa
4.6280046
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.226049
LogD (pH = 7.4)
-0.5509578
Log P
2.1518095
Molar Refractivity
51.1864
Polarizability
19.50459
Polar Surface Area
54.37
Rotatable Bonds
7
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
No Data Available
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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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