Molecule

ID:130222

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₄
Molecular Mass
258.26926
Exact Mass
258.08920893
Charge
0
InChI
InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3
InChIKey
XLHIYUYCSMZCCC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/c1cc(OC)cc(=O)o1
Isomeric Smiles
COc1ccc(cc1)/C=C/c1cc(cc(=O)o1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4818187
LogD (pH = 7.4)
2.4818187
Log P
2.4818187
Molar Refractivity
75.2039
Polarizability
27.653633
Polar Surface Area
44.76
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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