Molecule

ID:23572

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₄
Molecular Mass
316.3517
Exact Mass
316.14230713
Charge
0
InChI
InChI=1S/C17H20N2O4/c20-15(9-10-16(21)22)18-14-7-5-13(6-8-14)17(23)19-11-3-1-2-4-12-19/h5-10H,1-4,11-12H2,(H,18,20)(H,21,22)/b10-9+
InChIKey
ZQASUYBCPMLKLP-MDZDMXLPSA-N
Canonic Smiles
OC(=O)/C=C/C(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1
Isomeric Smiles
C(=O)(N1CCCCCC1)c1ccc(NC(=O)/C=C/C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.2211878
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.27167252
LogD (pH = 7.4)
-1.4554458
Log P
1.9863148
Molar Refractivity
88.4991
Polarizability
32.350918
Polar Surface Area
86.71
Rotatable Bonds
4
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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