Molecule

ID:25852

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₄
Molecular Mass
285.2946
Exact Mass
285.10010797
Charge
0
InChI
InChI=1S/C16H15NO4/c1-20-14-7-6-11(9-18)8-12(14)10-21-15-5-3-2-4-13(15)16(17)19/h2-9H,10H2,1H3,(H2,17,19)
InChIKey
DYJDDSMEJMUONA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)COc1ccccc1C(=O)N)OC
Isomeric Smiles
c1(C(=O)N)c(OCc2c(ccc(c2)C=O)OC)cccc1
Calculated Properties
JChem
Acid pKa
13.670714
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.945519
LogD (pH = 7.4)
1.9455192
Log P
1.9455191
Molar Refractivity
79.2594
Polarizability
29.69088
Polar Surface Area
78.62
Rotatable Bonds
6
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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