Molecule
ID:60506
General Information
Molecular Formula
C₁₇H₁₇NO₅
Molecular Mass
315.32058
Exact Mass
315.11067265
Charge
0
InChI
InChI=1S/C17H17NO5/c1-22-14-8-7-11(9-15(14)23-2)10-16(19)18-13-6-4-3-5-12(13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
TXHQHQSMOXLSFH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CC(=O)Nc1ccccc1C(=O)O
Isomeric Smiles
c1(c(NC(=O)Cc2cc(c(cc2)OC)OC)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5596914
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.1033164
LogD (pH = 7.4)
-0.31914854
Log P
3.0375364
Molar Refractivity
85.8255
Polarizability
32.192333
Polar Surface Area
84.86
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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