Molecule

ID:26114

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₃
Molecular Mass
232.27504
Exact Mass
232.10994437
Charge
0
InChI
InChI=1S/C14H16O3/c15-10-11-5-4-8-13(9-11)17-14(16)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2
InChIKey
KAWDPMXWDBVTBI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OC(=O)C1CCCCC1
Isomeric Smiles
C(=O)(Oc1cc(C=O)ccc1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4065113
LogD (pH = 7.4)
3.4065113
Log P
3.4065113
Molar Refractivity
64.9766
Polarizability
25.127253
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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