Molecule

ID:23669

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O₄
Molecular Mass
318.36758
Exact Mass
318.15795719
Charge
0
InChI
InChI=1S/C17H22N2O4/c1-2-15(20)18-11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17(22)23/h5-7,10,13-14H,2-4,8-9H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKey
ANTKEBIRBMVVEZ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Nc1cccc(c1)NC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1cc(NC(=O)CC)ccc1
Calculated Properties
JChem
Acid pKa
4.1839995
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.1516091
LogD (pH = 7.4)
-0.55883074
Log P
2.485449
Molar Refractivity
87.853
Polarizability
32.797855
Polar Surface Area
95.5
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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