Molecule

ID:127434

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3
InChIKey
QKQLSQLKXBHUSO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1c(O)cc(OC)cc1OC)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
8.189678
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.920538
LogD (pH = 7.4)
3.8566546
Log P
3.9214175
Molar Refractivity
81.7843
Polarizability
30.971214
Polar Surface Area
55.76
Rotatable Bonds
5
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
References
Bioactivity
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