Molecule

ID:39842

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₄
Molecular Mass
248.27444
Exact Mass
248.10485899
Charge
0
InChI
InChI=1S/C14H16O4/c1-4-6-17-12-8-11(14(15)16-3)9-13(10-12)18-7-5-2/h4-5,8-10H,1-2,6-7H2,3H3
InChIKey
XIHVVZYQCQQHHV-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1cc(OCC=C)cc(c1)C(=O)OC
Isomeric Smiles
c1(C(=O)OC)cc(cc(c1)OCC=C)OCC=C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.12388
LogD (pH = 7.4)
3.12388
Log P
3.12388
Molar Refractivity
69.3351
Polarizability
26.666653
Polar Surface Area
44.76
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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