Molecule

ID:119192

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₃
Molecular Mass
234.29092
Exact Mass
234.12559444
Charge
0
InChI
InChI=1S/C14H18O3/c1-9(2)4-3-5-10-6-7-11-12(8-10)14(16)17-13(11)15/h4,6,11-12H,3,5,7-8H2,1-2H3
InChIKey
USHLVOCVVSTOQO-UHFFFAOYSA-N
Canonic Smiles
CC(=CCCC1=CCC2C(C1)C(=O)OC2=O)C
Isomeric Smiles
O1C(=O)C2C(C1=O)CC=C(C2)CCC=C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7882268
LogD (pH = 7.4)
2.7882268
Log P
2.7882268
Molar Refractivity
66.0816
Polarizability
25.414299
Polar Surface Area
43.37
Rotatable Bonds
3
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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