Molecule

ID:92165

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
InChIKey
JMOOGCFXFNKYCS-UHFFFAOYSA-N
Canonic Smiles
COc1cc2cc([nH]c2cc1OCc1ccccc1)C(=O)O
Isomeric Smiles
[nH]1c2c(cc(c(c2)OCc2ccccc2)OC)cc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.6033747
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1666203
LogD (pH = 7.4)
-0.2831353
Log P
3.0587225
Molar Refractivity
81.8172
Polarizability
32.487427
Polar Surface Area
71.55
Rotatable Bonds
5
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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