Molecule

ID:23646

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-2-9-16-15(21)11-5-3-6-12(10-11)17-13(18)7-4-8-14(19)20/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKey
BPVHXWHIQKSKAT-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)c1cccc(c1)NC(=O)CCCC(=O)O
Isomeric Smiles
C(=O)(c1cc(NC(=O)CCCC(=O)O)ccc1)NCCC
Calculated Properties
JChem
Acid pKa
3.917167
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.15513763
LogD (pH = 7.4)
-1.7706136
Log P
1.4340343
Molar Refractivity
79.663
Polarizability
29.650461
Polar Surface Area
95.5
Rotatable Bonds
8
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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