Molecule

ID:110713

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₃
Molecular Mass
182.21636
Exact Mass
182.09429431
Charge
0
InChI
InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3
InChIKey
VWXVGDSPDMSWFP-UHFFFAOYSA-N
Canonic Smiles
CCC/C=C/CC1CC(=O)OC1=O
Isomeric Smiles
CCC/C=C/CC1CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.139597
LogD (pH = 7.4)
2.139597
Log P
2.139597
Molar Refractivity
49.0277
Polarizability
19.032686
Polar Surface Area
43.37
Rotatable Bonds
4
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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