Molecule

ID:17283

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₃
Molecular Mass
170.20566
Exact Mass
170.09429431
Charge
0
InChI
InChI=1S/C9H14O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h7H,1-6H2,(H,11,12)
InChIKey
JCIZEWRBCTUEFG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1CCCCC1=O
Isomeric Smiles
C1(C(=O)CCCC1)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.5614123
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6152526
LogD (pH = 7.4)
-1.1586006
Log P
1.6000761
Molar Refractivity
43.6893
Polarizability
17.203985
Polar Surface Area
54.37
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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