Molecule

ID:110419

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₃
Molecular Mass
182.21636
Exact Mass
182.09429431
Charge
0
InChI
InChI=1S/C10H14O3/c11-8-6-10(7-9(12)13-8)4-2-1-3-5-10/h1-7H2
InChIKey
XNDSIASQMRYFSW-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)CC2(C1)CCCCC2
Isomeric Smiles
O=C1CC2(CCCCC2)CC(=O)O1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6373041
LogD (pH = 7.4)
1.6373041
Log P
1.6373041
Molar Refractivity
45.9571
Polarizability
18.563194
Polar Surface Area
43.37
Rotatable Bonds
0
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
References
Bioactivity
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