Molecule

ID:119157

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₄
Molecular Mass
198.21576
Exact Mass
198.08920893
Charge
0
InChI
InChI=1S/C10H14O4/c11-8-6-7(9(12)13)10(14-8)4-2-1-3-5-10/h7H,1-6H2,(H,12,13)
InChIKey
ZTXZIBLPLHQZAQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(C2(O1)CCCCC2)C(=O)O
Isomeric Smiles
C1(C2(OC(=O)C1)CCCCC2)C(=O)O
Calculated Properties
JChem
Acid pKa
4.181698
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.084779166
LogD (pH = 7.4)
-1.7945831
Log P
1.2512425
Molar Refractivity
47.2978
Polarizability
19.06304
Polar Surface Area
63.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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