Molecule

ID:27532

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₄
Molecular Mass
299.32118
Exact Mass
299.11575803
Charge
0
InChI
InChI=1S/C17H17NO4/c1-11(19)12-5-4-6-14(9-12)18-17(20)13-7-8-15(21-2)16(10-13)22-3/h4-10H,1-3H3,(H,18,20)
InChIKey
VCNDIQAPSXXUTG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(Nc1cc(C(=O)C)ccc1)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
11.006703
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3074343
LogD (pH = 7.4)
2.3073335
Log P
2.3074355
Molar Refractivity
84.9207
Polarizability
31.71101
Polar Surface Area
64.63
Rotatable Bonds
5
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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